1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone

C14H8BrF3O — CID 66425414

IUPAC1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1F)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H8BrF3O/c15-10-4-9(5-11(16)7-10)13(19)6-8-2-1-3-12(17)14(8)18/h1-5,7H,6H2
InChIKeyLSHWLISZSAPGFF-UHFFFAOYSA-N
MW329.12 g/mol
LogP4.29
Rot. Bonds3

About 1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone

1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone (PubChem CID 66425414) has the molecular formula C14H8BrF3O and a molecular weight of 329.12 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
PubChem CID66425414
Molecular FormulaC14H8BrF3O
Molecular Weight329.12 g/mol
Exact Mass327.97
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1F)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H8BrF3O/c15-10-4-9(5-11(16)7-10)13(19)6-8-2-1-3-12(17)14(8)18/h1-5,7H,6H2
InChIKeyLSHWLISZSAPGFF-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.12
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 66423629
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
1-(3-bromo-5-fluorophenyl)-2-(2-nitrophenyl)ethanone
CID 61056068
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanone
CID 63526481
1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 116609973
1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63526829
1-(3-bromo-5-fluorophenyl)-3-ethylpentan-1-one
CID 82920792
2-(2,3-difluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 62622276
1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 63093654
1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
CID 61078086
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 104735987
1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone
CID 116577788

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone (CID 66425414) is 1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone is O=C(Cc1cccc(F)c1F)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone?
The InChIKey is LSHWLISZSAPGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3O/c15-10-4-9(5-11(16)7-10)13(19)6-8-2-1-3-12(17)14(8)18/h1-5,7H,6H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone?
1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone has a molecular weight of 329.12 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 66425414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).