General Information of Drug (ID: DMAWTUL)

Drug Name
Trifluoroethanol
Synonyms
2,2,2-TRIFLUOROETHANOL; 75-89-8; Trifluoroethanol; Ethanol, 2,2,2-trifluoro-; Trifluoroethyl alcohol; 2,2,2-Trifluoroethan-1-Ol; Fluorinol 85; 2,2,2-Trifluoroethyl alcohol; trifluoro ethanol; TFE; Perfluoro-1,1-dihydroethanol; tfetoh; NSC 451; CF3CH2OH; 2,2,2-trifluoro-ethanol; beta,beta,beta-Trifluoroethyl alcohol; UNII-8T8I76KYF1; TFEA; 2,2,2-TRIFLUORETHANOL; 1h,1h-trifluoroethanol; EINECS 200-913-6; BRN 1733203; ethanol, 2,2,2-trifluoro; AI3-25486; 8T8I76KYF1; CHEBI:42330; RHQDFWAXVIIEBN-UHFFFAOYSA-N; MFCD00004672
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 100.04
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C2H3F3O
IUPAC Name
2,2,2-trifluoroethanol
Canonical SMILES
C(C(F)(F)F)O
InChI
InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
InChIKey
RHQDFWAXVIIEBN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6409
ChEBI ID
CHEBI:42330
CAS Number
75-89-8
DrugBank ID
DB03226
TTD ID
D09NJF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Entamoeba Alcohol dehydrogenase 2 (Entamo ADH2) TTJS7O4 ADH2_ENTHI Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Alternative prion protein (PRNP) OTE85L1Q APRIO_HUMAN Protein Interaction/Cellular Processes [2]
Somatotropin (GH1) OT92RTRD SOMA_HUMAN Protein Interaction/Cellular Processes [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
2 Membrane interactions and conformational preferences of human and avian prion N-terminal tandem repeats: the role of copper(II) ions, pH, and membrane mimicking environments. J Phys Chem B. 2010 Nov 4;114(43):13830-8. doi: 10.1021/jp1033036.
3 Metal-catalyzed oxidation of human growth hormone: modulation by solvent-induced changes of protein conformation. J Pharm Sci. 2001 Jan;90(1):58-69. doi: 10.1002/1520-6017(200101)90:1<58::aid-jps7>3.0.co;2-w.