[5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol

C16H11ClF3N3O — CID 56769396

IUPAC[5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccccc2C(F)(F)F)c1-c1cccc(Cl)c1
InChIInChI=1S/C16H11ClF3N3O/c17-11-5-3-4-10(8-11)15-13(9-24)21-22-23(15)14-7-2-1-6-12(14)16(18,19)20/h1-8,24H,9H2
InChIKeyQVPDBIAVTZHUFV-UHFFFAOYSA-N
MW353.73 g/mol
LogP4.10
Rot. Bonds3

About [5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol

[5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 56769396) has the molecular formula C16H11ClF3N3O and a molecular weight of 353.73 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID56769396
Molecular FormulaC16H11ClF3N3O
Molecular Weight353.73 g/mol
Exact Mass353.05
IUPAC Name[5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccccc2C(F)(F)F)c1-c1cccc(Cl)c1
InChIInChI=1S/C16H11ClF3N3O/c17-11-5-3-4-10(8-11)15-13(9-24)21-22-23(15)14-7-2-1-6-12(14)16(18,19)20/h1-8,24H,9H2
InChIKeyQVPDBIAVTZHUFV-UHFFFAOYSA-N
XLogP4.10
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.73
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol (CID 56769396) is [5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol is OCc1nnn(-c2ccccc2C(F)(F)F)c1-c1cccc(Cl)c1.
What is the InChIKey of [5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is QVPDBIAVTZHUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O/c17-11-5-3-4-10(8-11)15-13(9-24)21-22-23(15)14-7-2-1-6-12(14)16(18,19)20/h1-8,24H,9H2.
What are the key properties of [5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
[5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 353.73 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 56769396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).