3-ethenyl-1,2,2-trifluoro-1-(trifluoromethyl)cyclobutane

C7H6F6 — CID 71445414

IUPAC3-ethenyl-1,2,2-trifluoro-1-(trifluoromethyl)cyclobutane
SMILESC=CC1CC(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C7H6F6/c1-2-4-3-5(8,6(4,9)10)7(11,12)13/h2,4H,1,3H2
InChIKeyIRXKETDNPQYELR-UHFFFAOYSA-N
MW204.11 g/mol
LogP3.10
Rot. Bonds1

About 3-ethenyl-1,2,2-trifluoro-1-(trifluoromethyl)cyclobutane

3-ethenyl-1,2,2-trifluoro-1-(trifluoromethyl)cyclobutane (PubChem CID 71445414) has the molecular formula C7H6F6 and a molecular weight of 204.11 g/mol. Its IUPAC name is 3-ethenyl-1,2,2-trifluoro-1-(trifluoromethyl)cyclobutane.

Molecular Properties

Compound Name3-ethenyl-1,2,2-trifluoro-1-(trifluoromethyl)cyclobutane
PubChem CID71445414
Molecular FormulaC7H6F6
Molecular Weight204.11 g/mol
Exact Mass204.04
IUPAC Name3-ethenyl-1,2,2-trifluoro-1-(trifluoromethyl)cyclobutane
SMILESC=CC1CC(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C7H6F6/c1-2-4-3-5(8,6(4,9)10)7(11,12)13/h2,4H,1,3H2
InChIKeyIRXKETDNPQYELR-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 53.10
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-ethenyl-1,2,2-trifluoro-1-(trifluoromethyl)cyclobutane?
The IUPAC name of 3-ethenyl-1,2,2-trifluoro-1-(trifluoromethyl)cyclobutane (CID 71445414) is 3-ethenyl-1,2,2-trifluoro-1-(trifluoromethyl)cyclobutane.
What is the SMILES notation for 3-ethenyl-1,2,2-trifluoro-1-(trifluoromethyl)cyclobutane?
The canonical SMILES for 3-ethenyl-1,2,2-trifluoro-1-(trifluoromethyl)cyclobutane is C=CC1CC(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 3-ethenyl-1,2,2-trifluoro-1-(trifluoromethyl)cyclobutane?
The InChIKey is IRXKETDNPQYELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6/c1-2-4-3-5(8,6(4,9)10)7(11,12)13/h2,4H,1,3H2.
What are the key properties of 3-ethenyl-1,2,2-trifluoro-1-(trifluoromethyl)cyclobutane?
3-ethenyl-1,2,2-trifluoro-1-(trifluoromethyl)cyclobutane has a molecular weight of 204.11 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,2,2-trifluoro-1-(trifluoromethyl)cyclobutane is sourced from PubChem (CID 71445414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).