1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone

C15H10F4O — CID 114963999

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone
SMILESCc1ccc(F)c(C(=O)Cc2cc(F)ccc2F)c1F
InChIInChI=1S/C15H10F4O/c1-8-2-4-12(18)14(15(8)19)13(20)7-9-6-10(16)3-5-11(9)17/h2-6H,7H2,1H3
InChIKeyWGVQAMWXELRUSK-UHFFFAOYSA-N
MW282.24 g/mol
LogP3.98
Rot. Bonds3

About 1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone

1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone (PubChem CID 114963999) has the molecular formula C15H10F4O and a molecular weight of 282.24 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone
PubChem CID114963999
Molecular FormulaC15H10F4O
Molecular Weight282.24 g/mol
Exact Mass282.07
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone
SMILESCc1ccc(F)c(C(=O)Cc2cc(F)ccc2F)c1F
InChIInChI=1S/C15H10F4O/c1-8-2-4-12(18)14(15(8)19)13(20)7-9-6-10(16)3-5-11(9)17/h2-6H,7H2,1H3
InChIKeyWGVQAMWXELRUSK-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 82819556
2-(2-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82815251
(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
CID 82819637
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 103042811
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82814391
2-ethyl-1,4-difluorobenzene
CID 23202513
2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone
CID 114963994
2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone
CID 113365493
1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974389
1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone
CID 115795792
1-chloro-3-(2,5-difluorophenyl)propan-2-one
CID 131011955

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone (CID 114963999) is 1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone is Cc1ccc(F)c(C(=O)Cc2cc(F)ccc2F)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone?
The InChIKey is WGVQAMWXELRUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O/c1-8-2-4-12(18)14(15(8)19)13(20)7-9-6-10(16)3-5-11(9)17/h2-6H,7H2,1H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone?
1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone has a molecular weight of 282.24 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 114963999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).