2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone

C14H14Cl2F2O — CID 105086176

IUPAC2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)C1CCC(F)(F)CC1
InChIInChI=1S/C14H14Cl2F2O/c15-11-2-1-3-12(16)10(11)8-13(19)9-4-6-14(17,18)7-5-9/h1-3,9H,4-8H2
InChIKeyFPTKYPRPBQIEFF-UHFFFAOYSA-N
MW307.17 g/mol
LogP4.93
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone

2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone (PubChem CID 105086176) has the molecular formula C14H14Cl2F2O and a molecular weight of 307.17 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone
PubChem CID105086176
Molecular FormulaC14H14Cl2F2O
Molecular Weight307.17 g/mol
Exact Mass306.04
IUPAC Name2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)C1CCC(F)(F)CC1
InChIInChI=1S/C14H14Cl2F2O/c15-11-2-1-3-12(16)10(11)8-13(19)9-4-6-14(17,18)7-5-9/h1-3,9H,4-8H2
InChIKeyFPTKYPRPBQIEFF-UHFFFAOYSA-N
XLogP4.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 105085826
2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 63563601
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone
CID 107003830
2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone
CID 116547963
2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 65420161
N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921775
1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376737
2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
(3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone
CID 105082691
2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63013840

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone (CID 105086176) is 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone is O=C(Cc1c(Cl)cccc1Cl)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone?
The InChIKey is FPTKYPRPBQIEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2F2O/c15-11-2-1-3-12(16)10(11)8-13(19)9-4-6-14(17,18)7-5-9/h1-3,9H,4-8H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone?
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone has a molecular weight of 307.17 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone is sourced from PubChem (CID 105086176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).