(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone

C14H9BrF2O — CID 81472431

IUPAC(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(F)cc2F)cc1Br
InChIInChI=1S/C14H9BrF2O/c1-8-2-3-9(6-12(8)15)14(18)11-5-4-10(16)7-13(11)17/h2-7H,1H3
InChIKeyQNJJURHCDKWYJX-UHFFFAOYSA-N
MW311.13 g/mol
LogP4.27
Rot. Bonds2

About (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone

(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone (PubChem CID 81472431) has the molecular formula C14H9BrF2O and a molecular weight of 311.13 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone
PubChem CID81472431
Molecular FormulaC14H9BrF2O
Molecular Weight311.13 g/mol
Exact Mass309.98
IUPAC Name(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(F)cc2F)cc1Br
InChIInChI=1S/C14H9BrF2O/c1-8-2-3-9(6-12(8)15)14(18)11-5-4-10(16)7-13(11)17/h2-7H,1H3
InChIKeyQNJJURHCDKWYJX-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone
CID 79020160
(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
CID 43339880
(3-bromo-4-methylphenyl)-(2,5-difluoro-4-pyridinyl)methanone
CID 112756042
(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
CID 43160008
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
(2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane
CID 142346677
(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 107129912
1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376772
(3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone
CID 107949912
(2,4-difluoro-5-methylphenyl)-(2,4-difluorophenyl)methanone
CID 79731832
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 103750489
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
CID 112694096

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone?
The IUPAC name of (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone (CID 81472431) is (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone?
The canonical SMILES for (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone is Cc1ccc(C(=O)c2ccc(F)cc2F)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone?
The InChIKey is QNJJURHCDKWYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O/c1-8-2-3-9(6-12(8)15)14(18)11-5-4-10(16)7-13(11)17/h2-7H,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone?
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone has a molecular weight of 311.13 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 81472431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).