2,2-difluoro-1-(3-methylidenecyclobutyl)ethanone

C7H8F2O — CID 178189958

IUPAC2,2-difluoro-1-(3-methylidenecyclobutyl)ethanone
SMILESC=C1CC(C(=O)C(F)F)C1
InChIInChI=1S/C7H8F2O/c1-4-2-5(3-4)6(10)7(8)9/h5,7H,1-3H2
InChIKeyBZDHSFYYNWTNRE-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.79
Rot. Bonds2

About 2,2-difluoro-1-(3-methylidenecyclobutyl)ethanone

2,2-difluoro-1-(3-methylidenecyclobutyl)ethanone (PubChem CID 178189958) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-methylidenecyclobutyl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(3-methylidenecyclobutyl)ethanone
PubChem CID178189958
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name2,2-difluoro-1-(3-methylidenecyclobutyl)ethanone
SMILESC=C1CC(C(=O)C(F)F)C1
InChIInChI=1S/C7H8F2O/c1-4-2-5(3-4)6(10)7(8)9/h5,7H,1-3H2
InChIKeyBZDHSFYYNWTNRE-UHFFFAOYSA-N
XLogP1.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-methylidenecyclobutyl)ethanone?
The IUPAC name of 2,2-difluoro-1-(3-methylidenecyclobutyl)ethanone (CID 178189958) is 2,2-difluoro-1-(3-methylidenecyclobutyl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(3-methylidenecyclobutyl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(3-methylidenecyclobutyl)ethanone is C=C1CC(C(=O)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-1-(3-methylidenecyclobutyl)ethanone?
The InChIKey is BZDHSFYYNWTNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O/c1-4-2-5(3-4)6(10)7(8)9/h5,7H,1-3H2.
What are the key properties of 2,2-difluoro-1-(3-methylidenecyclobutyl)ethanone?
2,2-difluoro-1-(3-methylidenecyclobutyl)ethanone has a molecular weight of 146.14 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-methylidenecyclobutyl)ethanone is sourced from PubChem (CID 178189958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).