2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone

C15H8F3NO2 — CID 65099002

IUPAC2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone
SMILESO=C(Cc1nc2ccccc2o1)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H8F3NO2/c16-8-5-9(17)15(10(18)6-8)12(20)7-14-19-11-3-1-2-4-13(11)21-14/h1-6H,7H2
InChIKeyIGEFXRZAXMMWNN-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.67
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone

2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone (PubChem CID 65099002) has the molecular formula C15H8F3NO2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone
PubChem CID65099002
Molecular FormulaC15H8F3NO2
Molecular Weight291.23 g/mol
Exact Mass291.05
IUPAC Name2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone
SMILESO=C(Cc1nc2ccccc2o1)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H8F3NO2/c16-8-5-9(17)15(10(18)6-8)12(20)7-14-19-11-3-1-2-4-13(11)21-14/h1-6H,7H2
InChIKeyIGEFXRZAXMMWNN-UHFFFAOYSA-N
XLogP3.67
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzoxazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62919555
2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone
CID 43118378
sodium 2-(1,3-benzoxazol-2-yl)acetate
CID 75531246
2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone
CID 107989036
2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-methylphenyl)ethanone
CID 81472639
1-(1,3-benzoxazol-2-yl)-3-methylpentan-2-one
CID 43118363
2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 66478066
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 28934887
1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-one
CID 28934808
1,3-benzoxazol-2-ylmethanesulfonic acid
CID 12745947
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone (CID 65099002) is 2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone is O=C(Cc1nc2ccccc2o1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone?
The InChIKey is IGEFXRZAXMMWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO2/c16-8-5-9(17)15(10(18)6-8)12(20)7-14-19-11-3-1-2-4-13(11)21-14/h1-6H,7H2.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone?
2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone has a molecular weight of 291.23 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone is sourced from PubChem (CID 65099002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).