[3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol

C10H9F2N3O — CID 167438888

IUPAC[3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1cnnn1-c1ccc(C(F)F)cc1
InChIInChI=1S/C10H9F2N3O/c11-10(12)7-1-3-8(4-2-7)15-9(6-16)5-13-14-15/h1-5,10,16H,6H2
InChIKeyJZJXRXNVPNMIFQ-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.70
Rot. Bonds3

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

[3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 167438888) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is [3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID167438888
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name[3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1cnnn1-c1ccc(C(F)F)cc1
InChIInChI=1S/C10H9F2N3O/c11-10(12)7-1-3-8(4-2-7)15-9(6-16)5-13-14-15/h1-5,10,16H,6H2
InChIKeyJZJXRXNVPNMIFQ-UHFFFAOYSA-N
XLogP1.70
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol (CID 167438888) is [3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol is OCc1cnnn1-c1ccc(C(F)F)cc1.
What is the InChIKey of [3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is JZJXRXNVPNMIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-10(12)7-1-3-8(4-2-7)15-9(6-16)5-13-14-15/h1-5,10,16H,6H2.
What are the key properties of [3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol?
[3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 225.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 167438888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).