4-fluoro-3,3-dimethylcyclobutene

C6H9F — CID 174786125

IUPAC4-fluoro-3,3-dimethylcyclobutene
SMILESCC1(C)C=CC1F
InChIInChI=1S/C6H9F/c1-6(2)4-3-5(6)7/h3-5H,1-2H3
InChIKeyWKFFZOIYZGSTBD-UHFFFAOYSA-N
MW100.14 g/mol
LogP1.92
Rot. Bonds

About 4-fluoro-3,3-dimethylcyclobutene

4-fluoro-3,3-dimethylcyclobutene (PubChem CID 174786125) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is 4-fluoro-3,3-dimethylcyclobutene.

Molecular Properties

Compound Name4-fluoro-3,3-dimethylcyclobutene
PubChem CID174786125
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name4-fluoro-3,3-dimethylcyclobutene
SMILESCC1(C)C=CC1F
InChIInChI=1S/C6H9F/c1-6(2)4-3-5(6)7/h3-5H,1-2H3
InChIKeyWKFFZOIYZGSTBD-UHFFFAOYSA-N
XLogP1.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 51.92
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 4-fluoro-3,3-dimethylcyclobutene?
The IUPAC name of 4-fluoro-3,3-dimethylcyclobutene (CID 174786125) is 4-fluoro-3,3-dimethylcyclobutene.
What is the SMILES notation for 4-fluoro-3,3-dimethylcyclobutene?
The canonical SMILES for 4-fluoro-3,3-dimethylcyclobutene is CC1(C)C=CC1F.
What is the InChIKey of 4-fluoro-3,3-dimethylcyclobutene?
The InChIKey is WKFFZOIYZGSTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F/c1-6(2)4-3-5(6)7/h3-5H,1-2H3.
What are the key properties of 4-fluoro-3,3-dimethylcyclobutene?
4-fluoro-3,3-dimethylcyclobutene has a molecular weight of 100.14 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,3-dimethylcyclobutene is sourced from PubChem (CID 174786125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).