1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone

C16H14F2O — CID 62802575

IUPAC1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C16H14F2O/c1-10-5-11(2)7-12(6-10)8-16(19)14-9-13(17)3-4-15(14)18/h3-7,9H,8H2,1-2H3
InChIKeyRLVLSZCMZRNKHA-UHFFFAOYSA-N
MW260.28 g/mol
LogP4.01
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone

1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone (PubChem CID 62802575) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
PubChem CID62802575
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C16H14F2O/c1-10-5-11(2)7-12(6-10)8-16(19)14-9-13(17)3-4-15(14)18/h3-7,9H,8H2,1-2H3
InChIKeyRLVLSZCMZRNKHA-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 63989422
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409718
1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone
CID 114974192
1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 114026774
1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 64915581
2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone
CID 54911077
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264
1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione
CID 43138932
1-(2,5-difluorophenyl)-3-methylbut-3-en-1-one
CID 79177351
2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone
CID 114963222

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone (CID 62802575) is 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone is Cc1cc(C)cc(CC(=O)c2cc(F)ccc2F)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone?
The InChIKey is RLVLSZCMZRNKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c1-10-5-11(2)7-12(6-10)8-16(19)14-9-13(17)3-4-15(14)18/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone?
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone has a molecular weight of 260.28 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 62802575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).