1-(3,3-difluoro-1-methylcyclobutyl)ethanone

C7H10F2O — CID 20614512

IUPAC1-(3,3-difluoro-1-methylcyclobutyl)ethanone
SMILESCC(=O)C1(C)CC(F)(F)C1
InChIInChI=1S/C7H10F2O/c1-5(10)6(2)3-7(8,9)4-6/h3-4H2,1-2H3
InChIKeyVECXOGNAZXWPAX-UHFFFAOYSA-N
MW148.15 g/mol
LogP2.01
Rot. Bonds1

About 1-(3,3-difluoro-1-methylcyclobutyl)ethanone

1-(3,3-difluoro-1-methylcyclobutyl)ethanone (PubChem CID 20614512) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 1-(3,3-difluoro-1-methylcyclobutyl)ethanone.

Molecular Properties

Compound Name1-(3,3-difluoro-1-methylcyclobutyl)ethanone
PubChem CID20614512
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name1-(3,3-difluoro-1-methylcyclobutyl)ethanone
SMILESCC(=O)C1(C)CC(F)(F)C1
InChIInChI=1S/C7H10F2O/c1-5(10)6(2)3-7(8,9)4-6/h3-4H2,1-2H3
InChIKeyVECXOGNAZXWPAX-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1-methylcyclobutyl)ethanone?
The IUPAC name of 1-(3,3-difluoro-1-methylcyclobutyl)ethanone (CID 20614512) is 1-(3,3-difluoro-1-methylcyclobutyl)ethanone.
What is the SMILES notation for 1-(3,3-difluoro-1-methylcyclobutyl)ethanone?
The canonical SMILES for 1-(3,3-difluoro-1-methylcyclobutyl)ethanone is CC(=O)C1(C)CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoro-1-methylcyclobutyl)ethanone?
The InChIKey is VECXOGNAZXWPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c1-5(10)6(2)3-7(8,9)4-6/h3-4H2,1-2H3.
What are the key properties of 1-(3,3-difluoro-1-methylcyclobutyl)ethanone?
1-(3,3-difluoro-1-methylcyclobutyl)ethanone has a molecular weight of 148.15 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-1-methylcyclobutyl)ethanone is sourced from PubChem (CID 20614512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).