1-(difluoromethylidene)-3-propan-2-ylcyclobutane

C8H12F2 — CID 167273021

IUPAC1-(difluoromethylidene)-3-propan-2-ylcyclobutane
SMILESCC(C)C1CC(=C(F)F)C1
InChIInChI=1S/C8H12F2/c1-5(2)6-3-7(4-6)8(9)10/h5-6H,3-4H2,1-2H3
InChIKeyAJVOZVLVDZVVNQ-UHFFFAOYSA-N
MW146.18 g/mol
LogP3.20
Rot. Bonds1

About 1-(difluoromethylidene)-3-propan-2-ylcyclobutane

1-(difluoromethylidene)-3-propan-2-ylcyclobutane (PubChem CID 167273021) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 1-(difluoromethylidene)-3-propan-2-ylcyclobutane.

Molecular Properties

Compound Name1-(difluoromethylidene)-3-propan-2-ylcyclobutane
PubChem CID167273021
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name1-(difluoromethylidene)-3-propan-2-ylcyclobutane
SMILESCC(C)C1CC(=C(F)F)C1
InChIInChI=1S/C8H12F2/c1-5(2)6-3-7(4-6)8(9)10/h5-6H,3-4H2,1-2H3
InChIKeyAJVOZVLVDZVVNQ-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(difluoromethylidene)-3-propan-2-ylcyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylidene)-3-propan-2-ylcyclobutane?
The IUPAC name of 1-(difluoromethylidene)-3-propan-2-ylcyclobutane (CID 167273021) is 1-(difluoromethylidene)-3-propan-2-ylcyclobutane.
What is the SMILES notation for 1-(difluoromethylidene)-3-propan-2-ylcyclobutane?
The canonical SMILES for 1-(difluoromethylidene)-3-propan-2-ylcyclobutane is CC(C)C1CC(=C(F)F)C1.
What is the InChIKey of 1-(difluoromethylidene)-3-propan-2-ylcyclobutane?
The InChIKey is AJVOZVLVDZVVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-5(2)6-3-7(4-6)8(9)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(difluoromethylidene)-3-propan-2-ylcyclobutane?
1-(difluoromethylidene)-3-propan-2-ylcyclobutane has a molecular weight of 146.18 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylidene)-3-propan-2-ylcyclobutane is sourced from PubChem (CID 167273021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).