1-(2,2-difluorocyclohexyl)ethanone

C8H12F2O — CID 131187691

IUPAC1-(2,2-difluorocyclohexyl)ethanone
SMILESCC(=O)C1CCCCC1(F)F
InChIInChI=1S/C8H12F2O/c1-6(11)7-4-2-3-5-8(7,9)10/h7H,2-5H2,1H3
InChIKeyQFRDPDOEUNXFEM-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.40
Rot. Bonds1

About 1-(2,2-difluorocyclohexyl)ethanone

1-(2,2-difluorocyclohexyl)ethanone (PubChem CID 131187691) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-(2,2-difluorocyclohexyl)ethanone.

Molecular Properties

Compound Name1-(2,2-difluorocyclohexyl)ethanone
PubChem CID131187691
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name1-(2,2-difluorocyclohexyl)ethanone
SMILESCC(=O)C1CCCCC1(F)F
InChIInChI=1S/C8H12F2O/c1-6(11)7-4-2-3-5-8(7,9)10/h7H,2-5H2,1H3
InChIKeyQFRDPDOEUNXFEM-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Propylcyclohexanone
CID 142482
Cyclohexyl methyl ketone
CID 13207
2-Ethylcyclohexanone
CID 20474
Cyclohexanone, 2-propyl-
CID 7199
1-Cyclohexylpropan-1-one
CID 70748
1-Cyclohexylbutan-1-one
CID 73832
4-Cyclohexylbutan-2-one
CID 536973
Cyclohexylacetone
CID 66899
4-Butylcyclohexanone
CID 543708
2-(Trifluoroacetyl)cyclohexanone
CID 238413
4-(Trifluoromethyl)cyclohexanone
CID 2777491
4-Ethylcyclohexanone
CID 79506

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclohexyl)ethanone?
The IUPAC name of 1-(2,2-difluorocyclohexyl)ethanone (CID 131187691) is 1-(2,2-difluorocyclohexyl)ethanone.
What is the SMILES notation for 1-(2,2-difluorocyclohexyl)ethanone?
The canonical SMILES for 1-(2,2-difluorocyclohexyl)ethanone is CC(=O)C1CCCCC1(F)F.
What is the InChIKey of 1-(2,2-difluorocyclohexyl)ethanone?
The InChIKey is QFRDPDOEUNXFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-6(11)7-4-2-3-5-8(7,9)10/h7H,2-5H2,1H3.
What are the key properties of 1-(2,2-difluorocyclohexyl)ethanone?
1-(2,2-difluorocyclohexyl)ethanone has a molecular weight of 162.18 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclohexyl)ethanone is sourced from PubChem (CID 131187691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).