1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone

C9H5BrF4O — CID 83409968

IUPAC1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone
SMILESCc1ccc(F)c(C(=O)C(F)(F)F)c1Br
InChIInChI=1S/C9H5BrF4O/c1-4-2-3-5(11)6(7(4)10)8(15)9(12,13)14/h2-3H,1H3
InChIKeyYSXOJHHBLDVREV-UHFFFAOYSA-N
MW285.03 g/mol
LogP3.64
Rot. Bonds1

About 1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone

1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone (PubChem CID 83409968) has the molecular formula C9H5BrF4O and a molecular weight of 285.03 g/mol. Its IUPAC name is 1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone
PubChem CID83409968
Molecular FormulaC9H5BrF4O
Molecular Weight285.03 g/mol
Exact Mass283.95
IUPAC Name1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone
SMILESCc1ccc(F)c(C(=O)C(F)(F)F)c1Br
InChIInChI=1S/C9H5BrF4O/c1-4-2-3-5(11)6(7(4)10)8(15)9(12,13)14/h2-3H,1H3
InChIKeyYSXOJHHBLDVREV-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.03
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone
CID 2759044
2-bromo-3-fluoro-6-methylbenzoyl chloride
CID 171033248
1-[3-bromo-6-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 131371837
1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone
CID 84795792
1-(2-chloro-6-fluoro-3-methylphenyl)ethanone
CID 2773655
1-[2,6-difluoro-3-(3-methylphenyl)phenyl]-2,2,2-trifluoroethanone
CID 58068002
2,4-difluoro-3-(2,2,2-trifluoroacetyl)benzonitrile
CID 83410571
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
1-[3-bromo-4-(trideuteriomethyl)phenyl]-2,2,2-trifluoroethanone
CID 138562296
methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate
CID 171015076
(E)-3-(2-bromo-6-fluoro-3-methylphenyl)prop-2-enoic acid
CID 131245069
1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanone
CID 2757718

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone (CID 83409968) is 1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone is Cc1ccc(F)c(C(=O)C(F)(F)F)c1Br.
What is the InChIKey of 1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone?
The InChIKey is YSXOJHHBLDVREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF4O/c1-4-2-3-5(11)6(7(4)10)8(15)9(12,13)14/h2-3H,1H3.
What are the key properties of 1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone?
1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone has a molecular weight of 285.03 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 83409968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).