2-(difluoromethyl)-2-methylcyclobutan-1-one

C6H8F2O — CID 11378513

IUPAC2-(difluoromethyl)-2-methylcyclobutan-1-one
SMILESCC1(C(F)F)CCC1=O
InChIInChI=1S/C6H8F2O/c1-6(5(7)8)3-2-4(6)9/h5H,2-3H2,1H3
InChIKeyIACLUDRVVCIEAB-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.62
Rot. Bonds1

About 2-(difluoromethyl)-2-methylcyclobutan-1-one

2-(difluoromethyl)-2-methylcyclobutan-1-one (PubChem CID 11378513) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name2-(difluoromethyl)-2-methylcyclobutan-1-one
PubChem CID11378513
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name2-(difluoromethyl)-2-methylcyclobutan-1-one
SMILESCC1(C(F)F)CCC1=O
InChIInChI=1S/C6H8F2O/c1-6(5(7)8)3-2-4(6)9/h5H,2-3H2,1H3
InChIKeyIACLUDRVVCIEAB-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Dimethylcyclobutan-1-one
CID 535022
1-(3,3-Difluoro-1-methylcyclobutyl)ethanone
CID 20614512
1,1,1-Trifluoro-4,4-dimethylpentan-3-one
CID 21334196
1,1,1-Trifluoro-5,5-dimethylhexan-2-one
CID 58459502
1-(3-(Trifluoromethyl)bicyclo(1.1.1)pentan-1-yl)ethan-1-one
CID 165884898
1,2,2-Trifluoro-4,4-dimethylpentan-3-one
CID 15507741
1,1,2-Trifluoro-4,4-dimethylpentan-3-one
CID 15507742
(2S)-2-(difluoromethyl)-2-methylcyclobutan-1-one
CID 76764248
1,1,1-Trifluoro-4,4-dimethylpentane-2,3-dione
CID 14915386
2,2-Difluoro-4,4-dimethylpentan-3-one
CID 54042718
1-[1-(Trifluoromethyl)cyclobutyl]ethanone
CID 58834326
2,2-Dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one
CID 59542917

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-2-methylcyclobutan-1-one?
The IUPAC name of 2-(difluoromethyl)-2-methylcyclobutan-1-one (CID 11378513) is 2-(difluoromethyl)-2-methylcyclobutan-1-one.
What is the SMILES notation for 2-(difluoromethyl)-2-methylcyclobutan-1-one?
The canonical SMILES for 2-(difluoromethyl)-2-methylcyclobutan-1-one is CC1(C(F)F)CCC1=O.
What is the InChIKey of 2-(difluoromethyl)-2-methylcyclobutan-1-one?
The InChIKey is IACLUDRVVCIEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c1-6(5(7)8)3-2-4(6)9/h5H,2-3H2,1H3.
What are the key properties of 2-(difluoromethyl)-2-methylcyclobutan-1-one?
2-(difluoromethyl)-2-methylcyclobutan-1-one has a molecular weight of 134.12 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2-methylcyclobutan-1-one is sourced from PubChem (CID 11378513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).