3,3-difluorocyclobutene

C4H3F2+ — CID 139242801

IUPAC3,3-difluorocyclobutene
SMILESFC1(F)C=C[CH+]1
InChIInChI=1S/C4H3F2/c5-4(6)2-1-3-4/h1-3H/q+1
InChIKeyZSQHORSPKFQNMD-UHFFFAOYSA-N
MW89.06 g/mol
LogP1.40
Rot. Bonds

About 3,3-difluorocyclobutene

3,3-difluorocyclobutene (PubChem CID 139242801) has the molecular formula C4H3F2+ and a molecular weight of 89.06 g/mol. Its IUPAC name is 3,3-difluorocyclobutene.

Molecular Properties

Compound Name3,3-difluorocyclobutene
PubChem CID139242801
Molecular FormulaC4H3F2+
Molecular Weight89.06 g/mol
Exact Mass89.02
IUPAC Name3,3-difluorocyclobutene
SMILESFC1(F)C=C[CH+]1
InChIInChI=1S/C4H3F2/c5-4(6)2-1-3-4/h1-3H/q+1
InChIKeyZSQHORSPKFQNMD-UHFFFAOYSA-N
XLogP1.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.06
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluorocyclobutene?
The IUPAC name of 3,3-difluorocyclobutene (CID 139242801) is 3,3-difluorocyclobutene.
What is the SMILES notation for 3,3-difluorocyclobutene?
The canonical SMILES for 3,3-difluorocyclobutene is FC1(F)C=C[CH+]1.
What is the InChIKey of 3,3-difluorocyclobutene?
The InChIKey is ZSQHORSPKFQNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2/c5-4(6)2-1-3-4/h1-3H/q+1.
What are the key properties of 3,3-difluorocyclobutene?
3,3-difluorocyclobutene has a molecular weight of 89.06 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorocyclobutene is sourced from PubChem (CID 139242801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).