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

C9H7F2N3O — CID 62399575

IUPAC[1-(3,4-difluorophenyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C9H7F2N3O/c10-8-2-1-7(3-9(8)11)14-4-6(5-15)12-13-14/h1-4,15H,5H2
InChIKeyHKWMLFMMEVWDMZ-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.04
Rot. Bonds2

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

[1-(3,4-difluorophenyl)triazol-4-yl]methanol (PubChem CID 62399575) has the molecular formula C9H7F2N3O and a molecular weight of 211.17 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3,4-difluorophenyl)triazol-4-yl]methanol
PubChem CID62399575
Molecular FormulaC9H7F2N3O
Molecular Weight211.17 g/mol
Exact Mass211.06
IUPAC Name[1-(3,4-difluorophenyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C9H7F2N3O/c10-8-2-1-7(3-9(8)11)14-4-6(5-15)12-13-14/h1-4,15H,5H2
InChIKeyHKWMLFMMEVWDMZ-UHFFFAOYSA-N
XLogP1.04
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(3,4-difluorophenyl)triazol-4-yl]methanol (CID 62399575) is [1-(3,4-difluorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3,4-difluorophenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3,4-difluorophenyl)triazol-4-yl]methanol is OCc1cn(-c2ccc(F)c(F)c2)nn1.
What is the InChIKey of [1-(3,4-difluorophenyl)triazol-4-yl]methanol?
The InChIKey is HKWMLFMMEVWDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O/c10-8-2-1-7(3-9(8)11)14-4-6(5-15)12-13-14/h1-4,15H,5H2.
What are the key properties of [1-(3,4-difluorophenyl)triazol-4-yl]methanol?
[1-(3,4-difluorophenyl)triazol-4-yl]methanol has a molecular weight of 211.17 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 62399575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).