[5-[4-(difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol

C11H11F2N3O — CID 167438859

IUPAC[5-[4-(difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(C(F)F)cc2)c1CO
InChIInChI=1S/C11H11F2N3O/c1-16-9(6-17)10(14-15-16)7-2-4-8(5-3-7)11(12)13/h2-5,11,17H,6H2,1H3
InChIKeyOZXZAWWEXLNDQG-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.91
Rot. Bonds3

About [5-[4-(difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol

[5-[4-(difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol (PubChem CID 167438859) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is [5-[4-(difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[4-(difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol
PubChem CID167438859
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name[5-[4-(difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(C(F)F)cc2)c1CO
InChIInChI=1S/C11H11F2N3O/c1-16-9(6-17)10(14-15-16)7-2-4-8(5-3-7)11(12)13/h2-5,11,17H,6H2,1H3
InChIKeyOZXZAWWEXLNDQG-UHFFFAOYSA-N
XLogP1.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol?
The IUPAC name of [5-[4-(difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol (CID 167438859) is [5-[4-(difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol.
What is the SMILES notation for [5-[4-(difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol?
The canonical SMILES for [5-[4-(difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol is Cn1nnc(-c2ccc(C(F)F)cc2)c1CO.
What is the InChIKey of [5-[4-(difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol?
The InChIKey is OZXZAWWEXLNDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-16-9(6-17)10(14-15-16)7-2-4-8(5-3-7)11(12)13/h2-5,11,17H,6H2,1H3.
What are the key properties of [5-[4-(difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol?
[5-[4-(difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol has a molecular weight of 239.23 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol is sourced from PubChem (CID 167438859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).