(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone

C14H8BrF3O — CID 114020633

IUPAC(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccc(Br)c2F)c(F)c1F
InChIInChI=1S/C14H8BrF3O/c1-7-5-6-9(13(18)11(7)16)14(19)8-3-2-4-10(15)12(8)17/h2-6H,1H3
InChIKeyWRBIEQYERAYTJD-UHFFFAOYSA-N
MW329.12 g/mol
LogP4.41
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone

(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone (PubChem CID 114020633) has the molecular formula C14H8BrF3O and a molecular weight of 329.12 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
PubChem CID114020633
Molecular FormulaC14H8BrF3O
Molecular Weight329.12 g/mol
Exact Mass327.97
IUPAC Name(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccc(Br)c2F)c(F)c1F
InChIInChI=1S/C14H8BrF3O/c1-7-5-6-9(13(18)11(7)16)14(19)8-3-2-4-10(15)12(8)17/h2-6H,1H3
InChIKeyWRBIEQYERAYTJD-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.12
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 106647432
(2-bromo-3-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107515094
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971667
(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone
CID 106644923
(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107949988
(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone
CID 114973529
(3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone
CID 106647329
(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 114019728
(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
CID 106647466
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone
CID 114020550
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone (CID 114020633) is (3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2cccc(Br)c2F)c(F)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone?
The InChIKey is WRBIEQYERAYTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3O/c1-7-5-6-9(13(18)11(7)16)14(19)8-3-2-4-10(15)12(8)17/h2-6H,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone?
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone has a molecular weight of 329.12 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone is sourced from PubChem (CID 114020633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).