3,4-difluorocyclobutene

C4H4F2 — CID 91242934

IUPAC3,4-difluorocyclobutene
SMILESFC1C=CC1F
InChIInChI=1S/C4H4F2/c5-3-1-2-4(3)6/h1-4H
InChIKeyFMZQAHWLKIRBNV-UHFFFAOYSA-N
MW90.07 g/mol
LogP1.23
Rot. Bonds

About 3,4-difluorocyclobutene

3,4-difluorocyclobutene (PubChem CID 91242934) has the molecular formula C4H4F2 and a molecular weight of 90.07 g/mol. Its IUPAC name is 3,4-difluorocyclobutene.

Molecular Properties

Compound Name3,4-difluorocyclobutene
PubChem CID91242934
Molecular FormulaC4H4F2
Molecular Weight90.07 g/mol
Exact Mass90.03
IUPAC Name3,4-difluorocyclobutene
SMILESFC1C=CC1F
InChIInChI=1S/C4H4F2/c5-3-1-2-4(3)6/h1-4H
InChIKeyFMZQAHWLKIRBNV-UHFFFAOYSA-N
XLogP1.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.07
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,4-difluorocyclobutene with MolForge

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

Launch Full Analysis

Related Compounds

Cyclobutene
CID 69972
4,4,4-Trifluoro-1-butene
CID 10887850
2-Butene, 1,4-difluoro-
CID 6433179
Fluorocyclobutene
CID 19376077
4-Fluoro-1-butene
CID 20234353
1,1,2-Trifluoropenta-1,4-diene
CID 272689
1-Fluoro-2-cyclobutene
CID 11018801
3,3-Difluorocyclobutene
CID 13759149
(E)-1,4-difluorobut-2-ene
CID 9847
4,4-Difluorobut-1-ene
CID 14092772
cis-1,4-Difluoro-2-butene
CID 13356673
trans-3,4-Difluorocyclobutene
CID 102373958

Frequently Asked Questions

What is the IUPAC name of 3,4-difluorocyclobutene?
The IUPAC name of 3,4-difluorocyclobutene (CID 91242934) is 3,4-difluorocyclobutene.
What is the SMILES notation for 3,4-difluorocyclobutene?
The canonical SMILES for 3,4-difluorocyclobutene is FC1C=CC1F.
What is the InChIKey of 3,4-difluorocyclobutene?
The InChIKey is FMZQAHWLKIRBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2/c5-3-1-2-4(3)6/h1-4H.
What are the key properties of 3,4-difluorocyclobutene?
3,4-difluorocyclobutene has a molecular weight of 90.07 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluorocyclobutene is sourced from PubChem (CID 91242934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).