2-(benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone

C14H10FN3O — CID 178069282

IUPAC2-(benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone
SMILESO=C(Cn1nc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C14H10FN3O/c15-11-7-5-10(6-8-11)14(19)9-18-16-12-3-1-2-4-13(12)17-18/h1-8H,9H2
InChIKeyJVGCDHYKGFYKFW-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.45
Rot. Bonds3

About 2-(benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone

2-(benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone (PubChem CID 178069282) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone
PubChem CID178069282
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name2-(benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone
SMILESO=C(Cn1nc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C14H10FN3O/c15-11-7-5-10(6-8-11)14(19)9-18-16-12-3-1-2-4-13(12)17-18/h1-8H,9H2
InChIKeyJVGCDHYKGFYKFW-UHFFFAOYSA-N
XLogP2.45
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-1,2,3-Benzotriazol-1-yl)-1-phenylethan-1-one
CID 761839
2-Benzotriazol-1-yl-1-p-tolyl-ethanone
CID 761841
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
2-(1H-1,2,3-Benzotriazol-1-yl)-1,2-diphenylethan-1-one
CID 2912246
3-(Benzotriazol-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 62025398
3-(2H-Benzotriazol-2-yl)-1-(4-fluorophenyl)propan-1-one
CID 90786802

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone (CID 178069282) is 2-(benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone is O=C(Cn1nc2ccccc2n1)c1ccc(F)cc1.
What is the InChIKey of 2-(benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone?
The InChIKey is JVGCDHYKGFYKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-11-7-5-10(6-8-11)14(19)9-18-16-12-3-1-2-4-13(12)17-18/h1-8H,9H2.
What are the key properties of 2-(benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone?
2-(benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone has a molecular weight of 255.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 178069282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).