1-(difluoromethylidene)-3-methylidenecyclobutane

C6H6F2 — CID 154150407

IUPAC1-(difluoromethylidene)-3-methylidenecyclobutane
SMILESC=C1CC(=C(F)F)C1
InChIInChI=1S/C6H6F2/c1-4-2-5(3-4)6(7)8/h1-3H2
InChIKeyLRQJOAHBAWTXCO-UHFFFAOYSA-N
MW116.11 g/mol
LogP2.49
Rot. Bonds

About 1-(difluoromethylidene)-3-methylidenecyclobutane

1-(difluoromethylidene)-3-methylidenecyclobutane (PubChem CID 154150407) has the molecular formula C6H6F2 and a molecular weight of 116.11 g/mol. Its IUPAC name is 1-(difluoromethylidene)-3-methylidenecyclobutane.

Molecular Properties

Compound Name1-(difluoromethylidene)-3-methylidenecyclobutane
PubChem CID154150407
Molecular FormulaC6H6F2
Molecular Weight116.11 g/mol
Exact Mass116.04
IUPAC Name1-(difluoromethylidene)-3-methylidenecyclobutane
SMILESC=C1CC(=C(F)F)C1
InChIInChI=1S/C6H6F2/c1-4-2-5(3-4)6(7)8/h1-3H2
InChIKeyLRQJOAHBAWTXCO-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.11
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-(difluoromethylidene)-3-methylidenecyclobutane?
The IUPAC name of 1-(difluoromethylidene)-3-methylidenecyclobutane (CID 154150407) is 1-(difluoromethylidene)-3-methylidenecyclobutane.
What is the SMILES notation for 1-(difluoromethylidene)-3-methylidenecyclobutane?
The canonical SMILES for 1-(difluoromethylidene)-3-methylidenecyclobutane is C=C1CC(=C(F)F)C1.
What is the InChIKey of 1-(difluoromethylidene)-3-methylidenecyclobutane?
The InChIKey is LRQJOAHBAWTXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2/c1-4-2-5(3-4)6(7)8/h1-3H2.
What are the key properties of 1-(difluoromethylidene)-3-methylidenecyclobutane?
1-(difluoromethylidene)-3-methylidenecyclobutane has a molecular weight of 116.11 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylidene)-3-methylidenecyclobutane is sourced from PubChem (CID 154150407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).