(1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol

C6H8F3N3O — CID 130567367

IUPAC(1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol
SMILESC[C@H](O)c1cn(CC(F)(F)F)nn1
InChIInChI=1S/C6H8F3N3O/c1-4(13)5-2-12(11-10-5)3-6(7,8)9/h2,4,13H,3H2,1H3/t4-/m0/s1
InChIKeyQNLUUNIXDIABFX-BYPYZUCNSA-N
MW195.14 g/mol
LogP0.89
Rot. Bonds2

About (1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol

(1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol (PubChem CID 130567367) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is (1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol
PubChem CID130567367
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name(1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol
SMILESC[C@H](O)c1cn(CC(F)(F)F)nn1
InChIInChI=1S/C6H8F3N3O/c1-4(13)5-2-12(11-10-5)3-6(7,8)9/h2,4,13H,3H2,1H3/t4-/m0/s1
InChIKeyQNLUUNIXDIABFX-BYPYZUCNSA-N
XLogP0.89
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol
CID 81443893
(1R)-1-(1-propyltriazol-4-yl)ethanol
CID 130567201
1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]triazol-4-yl]ethanol
CID 81444296
1-(1-pentyltriazol-4-yl)ethanol
CID 81444188
(1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol
CID 130567336
1-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]ethanol
CID 81444577
(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225
1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol
CID 81443828
methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate
CID 95721059
(1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol
CID 67547455
1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol
CID 106456459
2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 81445204

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol (CID 130567367) is (1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol is C[C@H](O)c1cn(CC(F)(F)F)nn1.
What is the InChIKey of (1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol?
The InChIKey is QNLUUNIXDIABFX-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8F3N3O/c1-4(13)5-2-12(11-10-5)3-6(7,8)9/h2,4,13H,3H2,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol?
(1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol has a molecular weight of 195.14 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 130567367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).