1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene

C7H5F7 — CID 175084133

IUPAC1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene
SMILESFC(F)(F)C(F)(C1=CCC1)C(F)(F)F
InChIInChI=1S/C7H5F7/c8-5(6(9,10)11,7(12,13)14)4-2-1-3-4/h2H,1,3H2
InChIKeyGLPCRMHRFXPFNO-UHFFFAOYSA-N
MW222.10 g/mol
LogP3.54
Rot. Bonds1

About 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene

1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene (PubChem CID 175084133) has the molecular formula C7H5F7 and a molecular weight of 222.10 g/mol. Its IUPAC name is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene.

Molecular Properties

Compound Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene
PubChem CID175084133
Molecular FormulaC7H5F7
Molecular Weight222.10 g/mol
Exact Mass222.03
IUPAC Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene
SMILESFC(F)(F)C(F)(C1=CCC1)C(F)(F)F
InChIInChI=1S/C7H5F7/c8-5(6(9,10)11,7(12,13)14)4-2-1-3-4/h2H,1,3H2
InChIKeyGLPCRMHRFXPFNO-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.10
LogP ≤ 53.54
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 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene?
The IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene (CID 175084133) is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene.
What is the SMILES notation for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene?
The canonical SMILES for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene is FC(F)(F)C(F)(C1=CCC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene?
The InChIKey is GLPCRMHRFXPFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F7/c8-5(6(9,10)11,7(12,13)14)4-2-1-3-4/h2H,1,3H2.
What are the key properties of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene?
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene has a molecular weight of 222.10 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene is sourced from PubChem (CID 175084133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).