1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone

C15H17F3O — CID 105376737

IUPAC1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1CC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C15H17F3O/c1-10-2-3-13(16)8-12(10)9-14(19)11-4-6-15(17,18)7-5-11/h2-3,8,11H,4-7,9H2,1H3
InChIKeyZUIZPUPTBDOUBU-UHFFFAOYSA-N
MW270.29 g/mol
LogP4.07
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone

1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone (PubChem CID 105376737) has the molecular formula C15H17F3O and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
PubChem CID105376737
Molecular FormulaC15H17F3O
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1CC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C15H17F3O/c1-10-2-3-13(16)8-12(10)9-14(19)11-4-6-15(17,18)7-5-11/h2-3,8,11H,4-7,9H2,1H3
InChIKeyZUIZPUPTBDOUBU-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone
CID 105095400
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
2-(5-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 105373360
1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 105085826
2-(5-fluoro-2-methylphenyl)-1-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171948152
2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone
CID 105373334
1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 105375889
2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone
CID 102617613
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 105373389
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone
CID 61482005
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 65391197

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone (CID 105376737) is 1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone is Cc1ccc(F)cc1CC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone?
The InChIKey is ZUIZPUPTBDOUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O/c1-10-2-3-13(16)8-12(10)9-14(19)11-4-6-15(17,18)7-5-11/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone?
1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone has a molecular weight of 270.29 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 105376737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).