[1-(3,5-difluorophenyl)-5-phenyltriazol-4-yl]methanol

C15H11F2N3O — CID 56769275

IUPAC[1-(3,5-difluorophenyl)-5-phenyltriazol-4-yl]methanol
SMILESOCc1nnn(-c2cc(F)cc(F)c2)c1-c1ccccc1
InChIInChI=1S/C15H11F2N3O/c16-11-6-12(17)8-13(7-11)20-15(14(9-21)18-19-20)10-4-2-1-3-5-10/h1-8,21H,9H2
InChIKeyRKELPQIRUMPARF-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.70
Rot. Bonds3

About [1-(3,5-difluorophenyl)-5-phenyltriazol-4-yl]methanol

[1-(3,5-difluorophenyl)-5-phenyltriazol-4-yl]methanol (PubChem CID 56769275) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is [1-(3,5-difluorophenyl)-5-phenyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3,5-difluorophenyl)-5-phenyltriazol-4-yl]methanol
PubChem CID56769275
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name[1-(3,5-difluorophenyl)-5-phenyltriazol-4-yl]methanol
SMILESOCc1nnn(-c2cc(F)cc(F)c2)c1-c1ccccc1
InChIInChI=1S/C15H11F2N3O/c16-11-6-12(17)8-13(7-11)20-15(14(9-21)18-19-20)10-4-2-1-3-5-10/h1-8,21H,9H2
InChIKeyRKELPQIRUMPARF-UHFFFAOYSA-N
XLogP2.70
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluorophenyl)-5-phenyltriazol-4-yl]methanol?
The IUPAC name of [1-(3,5-difluorophenyl)-5-phenyltriazol-4-yl]methanol (CID 56769275) is [1-(3,5-difluorophenyl)-5-phenyltriazol-4-yl]methanol.
What is the SMILES notation for [1-(3,5-difluorophenyl)-5-phenyltriazol-4-yl]methanol?
The canonical SMILES for [1-(3,5-difluorophenyl)-5-phenyltriazol-4-yl]methanol is OCc1nnn(-c2cc(F)cc(F)c2)c1-c1ccccc1.
What is the InChIKey of [1-(3,5-difluorophenyl)-5-phenyltriazol-4-yl]methanol?
The InChIKey is RKELPQIRUMPARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c16-11-6-12(17)8-13(7-11)20-15(14(9-21)18-19-20)10-4-2-1-3-5-10/h1-8,21H,9H2.
What are the key properties of [1-(3,5-difluorophenyl)-5-phenyltriazol-4-yl]methanol?
[1-(3,5-difluorophenyl)-5-phenyltriazol-4-yl]methanol has a molecular weight of 287.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluorophenyl)-5-phenyltriazol-4-yl]methanol is sourced from PubChem (CID 56769275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).