[1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-fluorophenyl)methanone

C15H8ClF2N3O — CID 1477930

IUPAC[1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cn(-c2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C15H8ClF2N3O/c16-12-7-11(5-6-13(12)18)21-8-14(19-20-21)15(22)9-1-3-10(17)4-2-9/h1-8H
InChIKeyUIVACZRPUSKNGL-UHFFFAOYSA-N
MW319.70 g/mol
LogP3.43
Rot. Bonds3

About [1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-fluorophenyl)methanone

[1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-fluorophenyl)methanone (PubChem CID 1477930) has the molecular formula C15H8ClF2N3O and a molecular weight of 319.70 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-fluorophenyl)methanone
PubChem CID1477930
Molecular FormulaC15H8ClF2N3O
Molecular Weight319.70 g/mol
Exact Mass319.03
IUPAC Name[1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cn(-c2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C15H8ClF2N3O/c16-12-7-11(5-6-13(12)18)21-8-14(19-20-21)15(22)9-1-3-10(17)4-2-9/h1-8H
InChIKeyUIVACZRPUSKNGL-UHFFFAOYSA-N
XLogP3.43
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.70
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-fluorophenyl)methanone (CID 1477930) is [1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1cn(-c2ccc(F)c(Cl)c2)nn1.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is UIVACZRPUSKNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2N3O/c16-12-7-11(5-6-13(12)18)21-8-14(19-20-21)15(22)9-1-3-10(17)4-2-9/h1-8H.
What are the key properties of [1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-fluorophenyl)methanone?
[1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 319.70 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 1477930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).