(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol

C11H10F3N3O — CID 129393829

IUPAC(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
SMILESC[C@@H](O)c1cn(-c2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C11H10F3N3O/c1-7(18)10-6-17(16-15-10)9-4-2-3-8(5-9)11(12,13)14/h2-7,18H,1H3/t7-/m1/s1
InChIKeyYITRDYYNFYIXAS-SSDOTTSWSA-N
MW257.22 g/mol
LogP2.34
Rot. Bonds2

About (1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol

(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol (PubChem CID 129393829) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is (1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
PubChem CID129393829
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
SMILESC[C@@H](O)c1cn(-c2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C11H10F3N3O/c1-7(18)10-6-17(16-15-10)9-4-2-3-8(5-9)11(12,13)14/h2-7,18H,1H3/t7-/m1/s1
InChIKeyYITRDYYNFYIXAS-SSDOTTSWSA-N
XLogP2.34
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
CID 117167604
(1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol
CID 129393823
(1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol
CID 129393826
1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol
CID 81445194
1-[2-[[1-[3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]pyrimidin-5-yl]ethanol
CID 130309630
1-(1-quinolin-6-yltriazol-4-yl)ethanol
CID 81444375
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[3-(trifluoromethyl)phenyl]triazole
CID 172644557
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119500898
4-(1-bromoethyl)-1-(3-methylphenyl)triazole
CID 81445146
(1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol
CID 129393821
1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol
CID 107586775
N-(3-aminocyclobutyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 166235240

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The IUPAC name of (1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol (CID 129393829) is (1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol is C[C@@H](O)c1cn(-c2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of (1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The InChIKey is YITRDYYNFYIXAS-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-7(18)10-6-17(16-15-10)9-4-2-3-8(5-9)11(12,13)14/h2-7,18H,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol has a molecular weight of 257.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol is sourced from PubChem (CID 129393829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).