1-(2,2-difluoro-1-methylcyclopropyl)ethanone

C6H8F2O — CID 14695230

IUPAC1-(2,2-difluoro-1-methylcyclopropyl)ethanone
SMILESCC(=O)C1(C)CC1(F)F
InChIInChI=1S/C6H8F2O/c1-4(9)5(2)3-6(5,7)8/h3H2,1-2H3
InChIKeyDXBUWLDERLGAIQ-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.62
Rot. Bonds1

About 1-(2,2-difluoro-1-methylcyclopropyl)ethanone

1-(2,2-difluoro-1-methylcyclopropyl)ethanone (PubChem CID 14695230) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 1-(2,2-difluoro-1-methylcyclopropyl)ethanone.

Molecular Properties

Compound Name1-(2,2-difluoro-1-methylcyclopropyl)ethanone
PubChem CID14695230
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name1-(2,2-difluoro-1-methylcyclopropyl)ethanone
SMILESCC(=O)C1(C)CC1(F)F
InChIInChI=1S/C6H8F2O/c1-4(9)5(2)3-6(5,7)8/h3H2,1-2H3
InChIKeyDXBUWLDERLGAIQ-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

Methyl 1-methylcyclopropyl ketone
CID 74067
1-(1-(Trifluoromethyl)cyclopropyl)ethan-1-one
CID 59649469
1-[1-(Difluoromethyl)cyclopropyl]ethan-1-one
CID 105427789
5,5,5-Trifluoro-3,3-dimethylpentan-2-one
CID 18337744
5-Fluoro-3,3-dimethylpentan-2-one
CID 18337746
3-Methyl-3-(trifluoromethyl)pentan-2-one
CID 21051695
2,2-Dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one
CID 59470777
2-Methyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one
CID 59668725
1,1,1-Trifluoro-4,4-dimethylpentan-2-one
CID 66467002
1-[1-(Trifluoromethyl)cyclopropyl]propan-1-one
CID 67725840
4,4,4-Trifluoro-1-(1-methylcyclopropyl)butan-1-one
CID 80464796
1-(2,2-Difluoro-1-methylcyclopropyl)-2-methylpropan-1-one
CID 89692763

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1-methylcyclopropyl)ethanone?
The IUPAC name of 1-(2,2-difluoro-1-methylcyclopropyl)ethanone (CID 14695230) is 1-(2,2-difluoro-1-methylcyclopropyl)ethanone.
What is the SMILES notation for 1-(2,2-difluoro-1-methylcyclopropyl)ethanone?
The canonical SMILES for 1-(2,2-difluoro-1-methylcyclopropyl)ethanone is CC(=O)C1(C)CC1(F)F.
What is the InChIKey of 1-(2,2-difluoro-1-methylcyclopropyl)ethanone?
The InChIKey is DXBUWLDERLGAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c1-4(9)5(2)3-6(5,7)8/h3H2,1-2H3.
What are the key properties of 1-(2,2-difluoro-1-methylcyclopropyl)ethanone?
1-(2,2-difluoro-1-methylcyclopropyl)ethanone 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 1-(2,2-difluoro-1-methylcyclopropyl)ethanone is sourced from PubChem (CID 14695230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).