1-(6-bromo-2,4-difluoro-3-methylphenyl)-2,2-difluoroethanone

C9H5BrF4O — CID 164895061

IUPAC1-(6-bromo-2,4-difluoro-3-methylphenyl)-2,2-difluoroethanone
SMILESCc1c(F)cc(Br)c(C(=O)C(F)F)c1F
InChIInChI=1S/C9H5BrF4O/c1-3-5(11)2-4(10)6(7(3)12)8(15)9(13)14/h2,9H,1H3
InChIKeyCHKMTLHXGOUOJF-UHFFFAOYSA-N
MW285.03 g/mol
LogP3.48
Rot. Bonds2

About 1-(6-bromo-2,4-difluoro-3-methylphenyl)-2,2-difluoroethanone

1-(6-bromo-2,4-difluoro-3-methylphenyl)-2,2-difluoroethanone (PubChem CID 164895061) has the molecular formula C9H5BrF4O and a molecular weight of 285.03 g/mol. Its IUPAC name is 1-(6-bromo-2,4-difluoro-3-methylphenyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(6-bromo-2,4-difluoro-3-methylphenyl)-2,2-difluoroethanone
PubChem CID164895061
Molecular FormulaC9H5BrF4O
Molecular Weight285.03 g/mol
Exact Mass283.95
IUPAC Name1-(6-bromo-2,4-difluoro-3-methylphenyl)-2,2-difluoroethanone
SMILESCc1c(F)cc(Br)c(C(=O)C(F)F)c1F
InChIInChI=1S/C9H5BrF4O/c1-3-5(11)2-4(10)6(7(3)12)8(15)9(13)14/h2,9H,1H3
InChIKeyCHKMTLHXGOUOJF-UHFFFAOYSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.03
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2,3-difluoro-4-methylphenyl)-2,2-difluoroethanone
CID 164895160
1-(2,6-dibromo-3,4-difluorophenyl)ethanone
CID 119010401
1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone
CID 164894872
2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone
CID 103513549
2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 130136659
methyl 4-bromo-3,6-difluoro-2-methylbenzoate
CID 166077596
1-(6-chloro-2-fluoro-3-methylphenyl)-2,2-difluoroethanone
CID 164894845
4-bromo-2-fluoro-3-methyl-6-sulfanylbenzoic acid
CID 176895908
2-bromo-6-fluoro-4-methylbenzoic acid
CID 119019979
1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone
CID 130512059
2,6-dibromo-3,4-difluorophenol
CID 84814133
4-bromo-2,3,6-trifluorobenzoic acid
CID 59889044

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,4-difluoro-3-methylphenyl)-2,2-difluoroethanone?
The IUPAC name of 1-(6-bromo-2,4-difluoro-3-methylphenyl)-2,2-difluoroethanone (CID 164895061) is 1-(6-bromo-2,4-difluoro-3-methylphenyl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(6-bromo-2,4-difluoro-3-methylphenyl)-2,2-difluoroethanone?
The canonical SMILES for 1-(6-bromo-2,4-difluoro-3-methylphenyl)-2,2-difluoroethanone is Cc1c(F)cc(Br)c(C(=O)C(F)F)c1F.
What is the InChIKey of 1-(6-bromo-2,4-difluoro-3-methylphenyl)-2,2-difluoroethanone?
The InChIKey is CHKMTLHXGOUOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF4O/c1-3-5(11)2-4(10)6(7(3)12)8(15)9(13)14/h2,9H,1H3.
What are the key properties of 1-(6-bromo-2,4-difluoro-3-methylphenyl)-2,2-difluoroethanone?
1-(6-bromo-2,4-difluoro-3-methylphenyl)-2,2-difluoroethanone has a molecular weight of 285.03 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,4-difluoro-3-methylphenyl)-2,2-difluoroethanone is sourced from PubChem (CID 164895061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).