3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one

C15H12FN3O — CID 90786802

IUPAC3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCn1nc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O/c16-12-7-5-11(6-8-12)15(20)9-10-19-17-13-3-1-2-4-14(13)18-19/h1-8H,9-10H2
InChIKeyZGTFAECILKEPGR-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.84
Rot. Bonds4

About 3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one

3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one (PubChem CID 90786802) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one
PubChem CID90786802
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCn1nc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O/c16-12-7-5-11(6-8-12)15(20)9-10-19-17-13-3-1-2-4-14(13)18-19/h1-8H,9-10H2
InChIKeyZGTFAECILKEPGR-UHFFFAOYSA-N
XLogP2.84
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-2H-benzo[d][1,2,3]triazole-4-carboxamide
CID 44549505
2-(1H-1,2,3-Benzotriazol-1-yl)-1-phenylethan-1-one
CID 761839
1-Methyl-3-(2-oxo-2-phenylethyl)-1H-1,2,3-benzotriazol-1-ium bromide
CID 11759359
1-Azolyl-4-phenyl-2-butanone, 14
CID 44604203
3-(Benzotriazol-1-yl)-1-phenylpropan-1-one
CID 3759222
(E)-1-phenyl-3-(2-phenyltriazol-4-yl)prop-2-en-1-one
CID 15684752
2-(Benzotriazol-2-yl)-1-(4-nitrophenyl)ethanone
CID 23738761
(E)-2-methyl-1-phenyl-3-(2-phenyltriazol-4-yl)prop-2-en-1-one
CID 162660950
(E)-1-(4-fluorophenyl)-2-methyl-3-(2-phenyltriazol-4-yl)prop-2-en-1-one
CID 162675435
3-(Benzotriazol-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 62025398
4-(Trifluormethyl)benzoylbenzotriazol
CID 129890514
3-(1H-Benzotriazol-1-yl)-1-(2-fluorophenyl)propan-1-one
CID 139070919

Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one (CID 90786802) is 3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one is O=C(CCn1nc2ccccc2n1)c1ccc(F)cc1.
What is the InChIKey of 3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is ZGTFAECILKEPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-7-5-11(6-8-12)15(20)9-10-19-17-13-3-1-2-4-14(13)18-19/h1-8H,9-10H2.
What are the key properties of 3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one?
3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 269.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 90786802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).