2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol

C12H14FN3O — CID 102031317

IUPAC2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C12H14FN3O/c1-12(2,17)11-8-16(15-14-11)7-9-3-5-10(13)6-4-9/h3-6,8,17H,7H2,1-2H3
InChIKeyAMLZBDNOXDSZQK-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.69
Rot. Bonds3

About 2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol

2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol (PubChem CID 102031317) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol
PubChem CID102031317
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C12H14FN3O/c1-12(2,17)11-8-16(15-14-11)7-9-3-5-10(13)6-4-9/h3-6,8,17H,7H2,1-2H3
InChIKeyAMLZBDNOXDSZQK-UHFFFAOYSA-N
XLogP1.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol (CID 102031317) is 2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol is CC(C)(O)c1cn(Cc2ccc(F)cc2)nn1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol?
The InChIKey is AMLZBDNOXDSZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-12(2,17)11-8-16(15-14-11)7-9-3-5-10(13)6-4-9/h3-6,8,17H,7H2,1-2H3.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol?
2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol has a molecular weight of 235.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 102031317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).