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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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).