(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone

C14H9BrF2O — CID 112694073

IUPAC(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C14H9BrF2O/c1-8-4-10(15)2-3-13(8)14(18)9-5-11(16)7-12(17)6-9/h2-7H,1H3
InChIKeyKMNBTZSPRJWMAD-UHFFFAOYSA-N
MW311.13 g/mol
LogP4.27
Rot. Bonds2

About (4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone

(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone (PubChem CID 112694073) has the molecular formula C14H9BrF2O and a molecular weight of 311.13 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
PubChem CID112694073
Molecular FormulaC14H9BrF2O
Molecular Weight311.13 g/mol
Exact Mass309.98
IUPAC Name(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C14H9BrF2O/c1-8-4-10(15)2-3-13(8)14(18)9-5-11(16)7-12(17)6-9/h2-7H,1H3
InChIKeyKMNBTZSPRJWMAD-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

(4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299227
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 103750489
(4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288351
(4-bromophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 24723251
4-bromo-2-methylbenzenecarbothioic S-acid
CID 87286158
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43629665
(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 43629621
N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide
CID 43629655
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone (CID 112694073) is (4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone is Cc1cc(Br)ccc1C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of (4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone?
The InChIKey is KMNBTZSPRJWMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O/c1-8-4-10(15)2-3-13(8)14(18)9-5-11(16)7-12(17)6-9/h2-7H,1H3.
What are the key properties of (4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone?
(4-bromo-2-methylphenyl)-(3,5-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 (4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 112694073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).