(2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane

C18H21BrF2O — CID 142346677

IUPAC(2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane
SMILESCC.CC.Cc1ccc(C(=O)c2ccc(F)cc2F)c(Br)c1
InChIInChI=1S/C14H9BrF2O.2C2H6/c1-8-2-4-10(12(15)6-8)14(18)11-5-3-9(16)7-13(11)17;2*1-2/h2-7H,1H3;2*1-2H3
InChIKeyYFXZIVPCRKRDAE-UHFFFAOYSA-N
MW371.27 g/mol
LogP6.32
Rot. Bonds2

About (2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane

(2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane (PubChem CID 142346677) has the molecular formula C18H21BrF2O and a molecular weight of 371.27 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane
PubChem CID142346677
Molecular FormulaC18H21BrF2O
Molecular Weight371.27 g/mol
Exact Mass370.07
IUPAC Name(2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane
SMILESCC.CC.Cc1ccc(C(=O)c2ccc(F)cc2F)c(Br)c1
InChIInChI=1S/C14H9BrF2O.2C2H6/c1-8-2-4-10(12(15)6-8)14(18)11-5-3-9(16)7-13(11)17;2*1-2/h2-7H,1H3;2*1-2H3
InChIKeyYFXZIVPCRKRDAE-UHFFFAOYSA-N
XLogP6.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.27
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
CID 43160008
(2-bromo-4-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970853
(2-bromo-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337277
(2-bromo-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 18997592
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone
CID 81472431
N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
CID 82706445
(2,4-difluoro-5-methylphenyl)-(2,4-difluorophenyl)methanone
CID 79731832
2-bromo-4-methylbenzoic acid;ethane
CID 143170535
(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651
(2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161425
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
(2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone
CID 43462661

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane?
The IUPAC name of (2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane (CID 142346677) is (2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane.
What is the SMILES notation for (2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane?
The canonical SMILES for (2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane is CC.CC.Cc1ccc(C(=O)c2ccc(F)cc2F)c(Br)c1.
What is the InChIKey of (2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane?
The InChIKey is YFXZIVPCRKRDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O.2C2H6/c1-8-2-4-10(12(15)6-8)14(18)11-5-3-9(16)7-13(11)17;2*1-2/h2-7H,1H3;2*1-2H3.
What are the key properties of (2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane?
(2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane has a molecular weight of 371.27 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane is sourced from PubChem (CID 142346677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).