(4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone

C14H7BrF4O — CID 107515034

IUPAC(4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(F)cc(Br)cc2F)c(F)c1F
InChIInChI=1S/C14H7BrF4O/c1-6-2-3-8(13(19)12(6)18)14(20)11-9(16)4-7(15)5-10(11)17/h2-5H,1H3
InChIKeyDBKSSGKMXKBUNF-UHFFFAOYSA-N
MW347.11 g/mol
LogP4.54
Rot. Bonds2

About (4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone

(4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone (PubChem CID 107515034) has the molecular formula C14H7BrF4O and a molecular weight of 347.11 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
PubChem CID107515034
Molecular FormulaC14H7BrF4O
Molecular Weight347.11 g/mol
Exact Mass345.96
IUPAC Name(4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(F)cc(Br)cc2F)c(F)c1F
InChIInChI=1S/C14H7BrF4O/c1-6-2-3-8(13(19)12(6)18)14(20)11-9(16)4-7(15)5-10(11)17/h2-5H,1H3
InChIKeyDBKSSGKMXKBUNF-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.11
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337541
(2-bromo-3-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107515094
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 107515111
(2,4-dibromophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 107944889
4-bromo-2-fluoro-6-methylbenzamide
CID 59473773
(2,4-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338550
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone
CID 114971145
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834
(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 79522795
(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 107515193
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 103750489

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone (CID 107515034) is (4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2c(F)cc(Br)cc2F)c(F)c1F.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone?
The InChIKey is DBKSSGKMXKBUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF4O/c1-6-2-3-8(13(19)12(6)18)14(20)11-9(16)4-7(15)5-10(11)17/h2-5H,1H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone?
(4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone has a molecular weight of 347.11 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone is sourced from PubChem (CID 107515034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).