3-cyclopropyl-1,1-difluoropropan-2-one

C6H8F2O — CID 112699143

IUPAC3-cyclopropyl-1,1-difluoropropan-2-one
SMILESO=C(CC1CC1)C(F)F
InChIInChI=1S/C6H8F2O/c7-6(8)5(9)3-4-1-2-4/h4,6H,1-3H2
InChIKeyIUAGUADDIZLZOQ-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.62
Rot. Bonds3

About 3-cyclopropyl-1,1-difluoropropan-2-one

3-cyclopropyl-1,1-difluoropropan-2-one (PubChem CID 112699143) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 3-cyclopropyl-1,1-difluoropropan-2-one.

Molecular Properties

Compound Name3-cyclopropyl-1,1-difluoropropan-2-one
PubChem CID112699143
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name3-cyclopropyl-1,1-difluoropropan-2-one
SMILESO=C(CC1CC1)C(F)F
InChIInChI=1S/C6H8F2O/c7-6(8)5(9)3-4-1-2-4/h4,6H,1-3H2
InChIKeyIUAGUADDIZLZOQ-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

1,1-dibromo-3-cyclopropylpropan-2-one
CID 91443105
(3R)-3-amino-1-cyclopropylbutan-2-one
CID 96732436
3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one
CID 116574051
3-cyclopropyl-1-(3,3-difluoro-1-methylcyclobutyl)-1-hydroxypropan-2-one
CID 58564853
1-cyclopentyl-3-hydroxybutan-2-one
CID 103451317
methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 159920641
cobalt(2+);bis(2-cyclopropylacetate)
CID 90200076
1-cyclopentyl-3-hydroxypentan-2-one
CID 103452923
1-cyclohexyl-3-ethylpentan-2-one
CID 114967631
2-(2-cyclopentylacetyl)propanedinitrile
CID 112732082
1-cyclopropyl-3-ethoxyhexan-2-one
CID 116707889

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,1-difluoropropan-2-one?
The IUPAC name of 3-cyclopropyl-1,1-difluoropropan-2-one (CID 112699143) is 3-cyclopropyl-1,1-difluoropropan-2-one.
What is the SMILES notation for 3-cyclopropyl-1,1-difluoropropan-2-one?
The canonical SMILES for 3-cyclopropyl-1,1-difluoropropan-2-one is O=C(CC1CC1)C(F)F.
What is the InChIKey of 3-cyclopropyl-1,1-difluoropropan-2-one?
The InChIKey is IUAGUADDIZLZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c7-6(8)5(9)3-4-1-2-4/h4,6H,1-3H2.
What are the key properties of 3-cyclopropyl-1,1-difluoropropan-2-one?
3-cyclopropyl-1,1-difluoropropan-2-one has a molecular weight of 134.12 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,1-difluoropropan-2-one is sourced from PubChem (CID 112699143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).