4,4-difluoro-3,3-dimethylcyclohexan-1-one

C8H12F2O — CID 156528016

IUPAC4,4-difluoro-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)CCC1(F)F
InChIInChI=1S/C8H12F2O/c1-7(2)5-6(11)3-4-8(7,9)10/h3-5H2,1-2H3
InChIKeyDXXJMJVWQVVKQM-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.40
Rot. Bonds

About 4,4-difluoro-3,3-dimethylcyclohexan-1-one

4,4-difluoro-3,3-dimethylcyclohexan-1-one (PubChem CID 156528016) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 4,4-difluoro-3,3-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name4,4-difluoro-3,3-dimethylcyclohexan-1-one
PubChem CID156528016
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name4,4-difluoro-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)CCC1(F)F
InChIInChI=1S/C8H12F2O/c1-7(2)5-6(11)3-4-8(7,9)10/h3-5H2,1-2H3
InChIKeyDXXJMJVWQVVKQM-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

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3,3,4,4-tetrafluorocyclopentan-1-one
CID 89251149
6-fluoro-6-methylpiperidin-3-one
CID 174899088
4,4,7,7-tetramethylcyclononan-1-one
CID 21241719
(1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate
CID 175544649
(3S)-3-methyl-3-propylcyclopentan-1-one
CID 171036794
4-fluoro-4-propan-2-ylcyclohexan-1-one
CID 155319933
3,3-dimethylcycloheptan-1-one
CID 12702041
cyclopropanone;ethane
CID 90860291
3-methyl-3-prop-2-enylcyclopentan-1-one
CID 10034694
2,2-difluoro-1-methylspiro[2.5]octan-6-one
CID 126845220

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3,3-dimethylcyclohexan-1-one?
The IUPAC name of 4,4-difluoro-3,3-dimethylcyclohexan-1-one (CID 156528016) is 4,4-difluoro-3,3-dimethylcyclohexan-1-one.
What is the SMILES notation for 4,4-difluoro-3,3-dimethylcyclohexan-1-one?
The canonical SMILES for 4,4-difluoro-3,3-dimethylcyclohexan-1-one is CC1(C)CC(=O)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-3,3-dimethylcyclohexan-1-one?
The InChIKey is DXXJMJVWQVVKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-7(2)5-6(11)3-4-8(7,9)10/h3-5H2,1-2H3.
What are the key properties of 4,4-difluoro-3,3-dimethylcyclohexan-1-one?
4,4-difluoro-3,3-dimethylcyclohexan-1-one has a molecular weight of 162.18 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3,3-dimethylcyclohexan-1-one is sourced from PubChem (CID 156528016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).