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

C15H12FN3O — CID 139070919

IUPAC3-(benzotriazol-1-yl)-1-(2-fluorophenyl)propan-1-one
SMILESO=C(CCn1nnc2ccccc21)c1ccccc1F
InChIInChI=1S/C15H12FN3O/c16-12-6-2-1-5-11(12)15(20)9-10-19-14-8-4-3-7-13(14)17-18-19/h1-8H,9-10H2
InChIKeyIFHGEVSIJDECQB-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.84
Rot. Bonds4

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

3-(benzotriazol-1-yl)-1-(2-fluorophenyl)propan-1-one (PubChem CID 139070919) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-1-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-1-(2-fluorophenyl)propan-1-one
PubChem CID139070919
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name3-(benzotriazol-1-yl)-1-(2-fluorophenyl)propan-1-one
SMILESO=C(CCn1nnc2ccccc21)c1ccccc1F
InChIInChI=1S/C15H12FN3O/c16-12-6-2-1-5-11(12)15(20)9-10-19-14-8-4-3-7-13(14)17-18-19/h1-8H,9-10H2
InChIKeyIFHGEVSIJDECQB-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

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Related Compounds

1-Benzoyl-1H-benzotriazole
CID 570059
[2-(4-Fluorophenyl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate
CID 3132192
1-[(4-Fluorophenyl)methyl]benzotriazole
CID 733622
2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone
CID 761840
2-(1H-1,2,3-Benzotriazol-1-yl)-1-phenylethan-1-one
CID 761839
2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate
CID 951091
1-(4-Fluorobenzoyl)-1H-benzotriazole
CID 785793
2-(Benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone
CID 15959243
2-(Benzotriazol-1-yl)-1-(4-methyl-3-nitrophenyl)ethanone
CID 761851
1H-benzotriazol-1-yl[4-(dimethylamino)phenyl]methanone
CID 694547
2-Benzotriazol-1-yl-1-p-tolyl-ethanone
CID 761841
2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone
CID 677475

Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-1-(2-fluorophenyl)propan-1-one?
The IUPAC name of 3-(benzotriazol-1-yl)-1-(2-fluorophenyl)propan-1-one (CID 139070919) is 3-(benzotriazol-1-yl)-1-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(benzotriazol-1-yl)-1-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(benzotriazol-1-yl)-1-(2-fluorophenyl)propan-1-one is O=C(CCn1nnc2ccccc21)c1ccccc1F.
What is the InChIKey of 3-(benzotriazol-1-yl)-1-(2-fluorophenyl)propan-1-one?
The InChIKey is IFHGEVSIJDECQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-6-2-1-5-11(12)15(20)9-10-19-14-8-4-3-7-13(14)17-18-19/h1-8H,9-10H2.
What are the key properties of 3-(benzotriazol-1-yl)-1-(2-fluorophenyl)propan-1-one?
3-(benzotriazol-1-yl)-1-(2-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-1-yl)-1-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 139070919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).