1,1-difluoro-2-methylidenecyclobutane

C5H6F2 — CID 12859515

IUPAC1,1-difluoro-2-methylidenecyclobutane
SMILESC=C1CCC1(F)F
InChIInChI=1S/C5H6F2/c1-4-2-3-5(4,6)7/h1-3H2
InChIKeyZIQRGVDDGJVKIK-UHFFFAOYSA-N
MW104.10 g/mol
LogP1.97
Rot. Bonds

About 1,1-difluoro-2-methylidenecyclobutane

1,1-difluoro-2-methylidenecyclobutane (PubChem CID 12859515) has the molecular formula C5H6F2 and a molecular weight of 104.10 g/mol. Its IUPAC name is 1,1-difluoro-2-methylidenecyclobutane.

Molecular Properties

Compound Name1,1-difluoro-2-methylidenecyclobutane
PubChem CID12859515
Molecular FormulaC5H6F2
Molecular Weight104.10 g/mol
Exact Mass104.04
IUPAC Name1,1-difluoro-2-methylidenecyclobutane
SMILESC=C1CCC1(F)F
InChIInChI=1S/C5H6F2/c1-4-2-3-5(4,6)7/h1-3H2
InChIKeyZIQRGVDDGJVKIK-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.10
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-Difluoro-3-methylene-cyclobutane
CID 13759163
Difluoromethylidenecyclobutane
CID 12859514
1,1-Difluoro-2-methylene-3-(difluoromethylene)cyclobutane
CID 13278483
1-Fluoro-3-methylidenecyclobutane
CID 10240762
1,1,2,2-Tetrafluoro-3-methylenecyclobutane
CID 12637091
3-(Difluoromethylidene)-1,1-difluorocyclobutane
CID 12637092
1,1,3,3-Tetrafluoro-2-methylidenecyclobutane
CID 12859516
2,2-Difluoro-1-(difluoromethylene)cyclobutane
CID 12859517
Fluoromethylidenecyclobutane
CID 85618826
1,1,2-Trifluoro-4-methylpenta-1,4-diene
CID 102189374
1-Methylidene-3-(trifluoromethyl)cyclobutane
CID 168892293
2-(Difluoromethyl)-3,3,4-trifluoropenta-1,4-diene
CID 173159977

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methylidenecyclobutane?
The IUPAC name of 1,1-difluoro-2-methylidenecyclobutane (CID 12859515) is 1,1-difluoro-2-methylidenecyclobutane.
What is the SMILES notation for 1,1-difluoro-2-methylidenecyclobutane?
The canonical SMILES for 1,1-difluoro-2-methylidenecyclobutane is C=C1CCC1(F)F.
What is the InChIKey of 1,1-difluoro-2-methylidenecyclobutane?
The InChIKey is ZIQRGVDDGJVKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2/c1-4-2-3-5(4,6)7/h1-3H2.
What are the key properties of 1,1-difluoro-2-methylidenecyclobutane?
1,1-difluoro-2-methylidenecyclobutane has a molecular weight of 104.10 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methylidenecyclobutane is sourced from PubChem (CID 12859515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).