1-(1,2,2-trifluoroethenyl)cyclobutene

C6H5F3 — CID 87961377

IUPAC1-(1,2,2-trifluoroethenyl)cyclobutene
SMILESFC(F)=C(F)C1=CCC1
InChIInChI=1S/C6H5F3/c7-5(6(8)9)4-2-1-3-4/h2H,1,3H2
InChIKeyPDSCTYSZASDYRP-UHFFFAOYSA-N
MW134.10 g/mol
LogP2.78
Rot. Bonds1

About 1-(1,2,2-trifluoroethenyl)cyclobutene

1-(1,2,2-trifluoroethenyl)cyclobutene (PubChem CID 87961377) has the molecular formula C6H5F3 and a molecular weight of 134.10 g/mol. Its IUPAC name is 1-(1,2,2-trifluoroethenyl)cyclobutene.

Molecular Properties

Compound Name1-(1,2,2-trifluoroethenyl)cyclobutene
PubChem CID87961377
Molecular FormulaC6H5F3
Molecular Weight134.10 g/mol
Exact Mass134.03
IUPAC Name1-(1,2,2-trifluoroethenyl)cyclobutene
SMILESFC(F)=C(F)C1=CCC1
InChIInChI=1S/C6H5F3/c7-5(6(8)9)4-2-1-3-4/h2H,1,3H2
InChIKeyPDSCTYSZASDYRP-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.10
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trifluoroethenyl)cyclobutene?
The IUPAC name of 1-(1,2,2-trifluoroethenyl)cyclobutene (CID 87961377) is 1-(1,2,2-trifluoroethenyl)cyclobutene.
What is the SMILES notation for 1-(1,2,2-trifluoroethenyl)cyclobutene?
The canonical SMILES for 1-(1,2,2-trifluoroethenyl)cyclobutene is FC(F)=C(F)C1=CCC1.
What is the InChIKey of 1-(1,2,2-trifluoroethenyl)cyclobutene?
The InChIKey is PDSCTYSZASDYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3/c7-5(6(8)9)4-2-1-3-4/h2H,1,3H2.
What are the key properties of 1-(1,2,2-trifluoroethenyl)cyclobutene?
1-(1,2,2-trifluoroethenyl)cyclobutene has a molecular weight of 134.10 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trifluoroethenyl)cyclobutene is sourced from PubChem (CID 87961377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).