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

C14H9BrF2O — CID 114973529

IUPAC(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone
SMILESCc1c(Br)cccc1C(=O)c1cccc(F)c1F
InChIInChI=1S/C14H9BrF2O/c1-8-9(4-2-6-11(8)15)14(18)10-5-3-7-12(16)13(10)17/h2-7H,1H3
InChIKeyQQSXTRSIUJCZKE-UHFFFAOYSA-N
MW311.12 g/mol
LogP4.27
Rot. Bonds2

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

(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone (PubChem CID 114973529) has the molecular formula C14H9BrF2O and a molecular weight of 311.12 g/mol. Its IUPAC name is (3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone
PubChem CID114973529
Molecular FormulaC14H9BrF2O
Molecular Weight311.12 g/mol
Exact Mass309.98
IUPAC Name(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone
SMILESCc1c(Br)cccc1C(=O)c1cccc(F)c1F
InChIInChI=1S/C14H9BrF2O/c1-8-9(4-2-6-11(8)15)14(18)10-5-3-7-12(16)13(10)17/h2-7H,1H3
InChIKeyQQSXTRSIUJCZKE-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 ≤ 500311.12
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971667
(3-bromo-2-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79732183
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone
CID 105398350
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
(2-bromo-3-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107515094
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652
2,3-difluorobenzoyl bromide
CID 91168195
N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269
(2,3-difluorophenyl)-(3-methylphenyl)methanone
CID 63987550
(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 106647432
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone?
The IUPAC name of (3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone (CID 114973529) is (3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone.
What is the SMILES notation for (3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone?
The canonical SMILES for (3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone is Cc1c(Br)cccc1C(=O)c1cccc(F)c1F.
What is the InChIKey of (3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone?
The InChIKey is QQSXTRSIUJCZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O/c1-8-9(4-2-6-11(8)15)14(18)10-5-3-7-12(16)13(10)17/h2-7H,1H3.
What are the key properties of (3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone?
(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone has a molecular weight of 311.12 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-2-methylphenyl)-(2,3-difluorophenyl)methanone is sourced from PubChem (CID 114973529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).