1-(3,3-difluorocyclobutyl)ethanone

C6H8F2O — CID 58356078

IUPAC1-(3,3-difluorocyclobutyl)ethanone
SMILESCC(=O)C1CC(F)(F)C1
InChIInChI=1S/C6H8F2O/c1-4(9)5-2-6(7,8)3-5/h5H,2-3H2,1H3
InChIKeyOUSRYRUBLFSMDC-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.62
Rot. Bonds1

About 1-(3,3-difluorocyclobutyl)ethanone

1-(3,3-difluorocyclobutyl)ethanone (PubChem CID 58356078) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)ethanone.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)ethanone
PubChem CID58356078
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name1-(3,3-difluorocyclobutyl)ethanone
SMILESCC(=O)C1CC(F)(F)C1
InChIInChI=1S/C6H8F2O/c1-4(9)5-2-6(7,8)3-5/h5H,2-3H2,1H3
InChIKeyOUSRYRUBLFSMDC-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)ethanone?
The IUPAC name of 1-(3,3-difluorocyclobutyl)ethanone (CID 58356078) is 1-(3,3-difluorocyclobutyl)ethanone.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)ethanone?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)ethanone is CC(=O)C1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)ethanone?
The InChIKey is OUSRYRUBLFSMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c1-4(9)5-2-6(7,8)3-5/h5H,2-3H2,1H3.
What are the key properties of 1-(3,3-difluorocyclobutyl)ethanone?
1-(3,3-difluorocyclobutyl)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-(3,3-difluorocyclobutyl)ethanone is sourced from PubChem (CID 58356078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).