(3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol

C15H11F2N3O — CID 114684827

IUPAC(3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H11F2N3O/c16-12-7-6-10(8-13(12)17)15(21)14-9-18-19-20(14)11-4-2-1-3-5-11/h1-9,15,21H
InChIKeyNFABJUDYFHRUKB-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.63
Rot. Bonds3

About (3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol

(3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol (PubChem CID 114684827) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol
PubChem CID114684827
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name(3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H11F2N3O/c16-12-7-6-10(8-13(12)17)15(21)14-9-18-19-20(14)11-4-2-1-3-5-11/h1-9,15,21H
InChIKeyNFABJUDYFHRUKB-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684808
(3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114685520
(3-chloro-4-iodophenyl)-(3-phenyltriazol-4-yl)methanol
CID 103217123
(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105128605
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684694
(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684777
(3,4-difluorophenyl)-(2-fluorophenyl)methanol
CID 61088873
2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686314
(5-bromo-2-methylphenyl)-(3-phenyltriazol-4-yl)methanol
CID 115835877
(5-bromo-2-fluorophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114894453
(R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293052
1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine
CID 114689809

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol?
The IUPAC name of (3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol (CID 114684827) is (3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol?
The canonical SMILES for (3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol is OC(c1ccc(F)c(F)c1)c1cnnn1-c1ccccc1.
What is the InChIKey of (3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol?
The InChIKey is NFABJUDYFHRUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c16-12-7-6-10(8-13(12)17)15(21)14-9-18-19-20(14)11-4-2-1-3-5-11/h1-9,15,21H.
What are the key properties of (3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol?
(3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol has a molecular weight of 287.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 114684827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).