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

C16H12F3N3O — CID 155935301

IUPAC(R)-phenyl-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESO[C@H](c1ccccc1)c1cn(-c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)12-6-8-13(9-7-12)22-10-14(20-21-22)15(23)11-4-2-1-3-5-11/h1-10,15,23H/t15-/m1/s1
InChIKeyDYHFOZLMIWVCMI-OAHLLOKOSA-N
MW319.29 g/mol
LogP3.37
Rot. Bonds3

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

(R)-phenyl-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 155935301) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is (R)-phenyl-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name(R)-phenyl-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID155935301
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name(R)-phenyl-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESO[C@H](c1ccccc1)c1cn(-c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)12-6-8-13(9-7-12)22-10-14(20-21-22)15(23)11-4-2-1-3-5-11/h1-10,15,23H/t15-/m1/s1
InChIKeyDYHFOZLMIWVCMI-OAHLLOKOSA-N
XLogP3.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56828295
{1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56828296
2-[[1-[4-(Trifluoromethyl)phenyl]triazol-4-yl]methoxymethyl]benzenethiol
CID 155568158
Antileishmanial agent-1
CID 162640604
[1-[3,4-Bis(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 168289063
[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 53474092
2-[4-(4-Octyltriazol-1-yl)phenyl]ethanol
CID 72736019
2,2,2-Trifluoro-1-[2,3,5,6-tetrafluoro-4-(4-phenyltriazol-1-yl)phenyl]ethane-1,1-diol
CID 171349373
2,2,2-Trifluoro-1-[2,3,5,6-tetrafluoro-4-(4-phenyltriazol-1-yl)phenyl]ethanol
CID 171351856
1-Phenyl-2-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]ethanol
CID 46863267
2-[4-[[Cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol
CID 46863378
1-(1-Octyltriazol-4-yl)-2-phenyl-ethanol
CID 56673743

Frequently Asked Questions

What is the IUPAC name of (R)-phenyl-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of (R)-phenyl-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol (CID 155935301) is (R)-phenyl-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for (R)-phenyl-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for (R)-phenyl-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol is O[C@H](c1ccccc1)c1cn(-c2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of (R)-phenyl-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is DYHFOZLMIWVCMI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H12F3N3O/c17-16(18,19)12-6-8-13(9-7-12)22-10-14(20-21-22)15(23)11-4-2-1-3-5-11/h1-10,15,23H/t15-/m1/s1.
What are the key properties of (R)-phenyl-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
(R)-phenyl-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 319.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-phenyl-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 155935301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).