3,3-difluorocyclopropene

C3H2F2 — CID 23234305

IUPAC3,3-difluorocyclopropene
SMILESFC1(F)C=C1
InChIInChI=1S/C3H2F2/c4-3(5)1-2-3/h1-2H
InChIKeyXPQHBPQNFWBFNK-UHFFFAOYSA-N
MW76.05 g/mol
LogP1.19
Rot. Bonds

About 3,3-difluorocyclopropene

3,3-difluorocyclopropene (PubChem CID 23234305) has the molecular formula C3H2F2 and a molecular weight of 76.05 g/mol. Its IUPAC name is 3,3-difluorocyclopropene.

Molecular Properties

Compound Name3,3-difluorocyclopropene
PubChem CID23234305
Molecular FormulaC3H2F2
Molecular Weight76.05 g/mol
Exact Mass76.01
IUPAC Name3,3-difluorocyclopropene
SMILESFC1(F)C=C1
InChIInChI=1S/C3H2F2/c4-3(5)1-2-3/h1-2H
InChIKeyXPQHBPQNFWBFNK-UHFFFAOYSA-N
XLogP1.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.05
LogP ≤ 51.19
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 3,3-difluorocyclopropene?
The IUPAC name of 3,3-difluorocyclopropene (CID 23234305) is 3,3-difluorocyclopropene.
What is the SMILES notation for 3,3-difluorocyclopropene?
The canonical SMILES for 3,3-difluorocyclopropene is FC1(F)C=C1.
What is the InChIKey of 3,3-difluorocyclopropene?
The InChIKey is XPQHBPQNFWBFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F2/c4-3(5)1-2-3/h1-2H.
What are the key properties of 3,3-difluorocyclopropene?
3,3-difluorocyclopropene has a molecular weight of 76.05 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorocyclopropene is sourced from PubChem (CID 23234305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).