[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol

C10H8F3N3O — CID 121293489

IUPAC[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol
SMILESOCc1c(C(F)F)nnn1-c1ccc(F)cc1
InChIInChI=1S/C10H8F3N3O/c11-6-1-3-7(4-2-6)16-8(5-17)9(10(12)13)14-15-16/h1-4,10,17H,5H2
InChIKeyGPQJQGNBHNBLFH-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.84
Rot. Bonds3

About [5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol

[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol (PubChem CID 121293489) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is [5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol
PubChem CID121293489
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol
SMILESOCc1c(C(F)F)nnn1-c1ccc(F)cc1
InChIInChI=1S/C10H8F3N3O/c11-6-1-3-7(4-2-6)16-8(5-17)9(10(12)13)14-15-16/h1-4,10,17H,5H2
InChIKeyGPQJQGNBHNBLFH-UHFFFAOYSA-N
XLogP1.84
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol?
The IUPAC name of [5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol (CID 121293489) is [5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol?
The canonical SMILES for [5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol is OCc1c(C(F)F)nnn1-c1ccc(F)cc1.
What is the InChIKey of [5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol?
The InChIKey is GPQJQGNBHNBLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-6-1-3-7(4-2-6)16-8(5-17)9(10(12)13)14-15-16/h1-4,10,17H,5H2.
What are the key properties of [5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol?
[5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol has a molecular weight of 243.19 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 121293489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).