3,3,4-trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene

C7F12 — CID 12708034

IUPAC3,3,4-trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C7F12/c8-3(7(17,18)19)1(5(11,12)13)2(4(3,9)10)6(14,15)16
InChIKeyNSQFALRFEYQFJL-UHFFFAOYSA-N
MW312.05 g/mol
LogP4.33
Rot. Bonds

About 3,3,4-trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene

3,3,4-trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene (PubChem CID 12708034) has the molecular formula C7F12 and a molecular weight of 312.05 g/mol. Its IUPAC name is 3,3,4-trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name3,3,4-trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene
PubChem CID12708034
Molecular FormulaC7F12
Molecular Weight312.05 g/mol
Exact Mass311.98
IUPAC Name3,3,4-trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C7F12/c8-3(7(17,18)19)1(5(11,12)13)2(4(3,9)10)6(14,15)16
InChIKeyNSQFALRFEYQFJL-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 54.33
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 3,3,4-trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene?
The IUPAC name of 3,3,4-trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene (CID 12708034) is 3,3,4-trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene.
What is the SMILES notation for 3,3,4-trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene?
The canonical SMILES for 3,3,4-trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene is FC(F)(F)C1=C(C(F)(F)F)C(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 3,3,4-trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene?
The InChIKey is NSQFALRFEYQFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F12/c8-3(7(17,18)19)1(5(11,12)13)2(4(3,9)10)6(14,15)16.
What are the key properties of 3,3,4-trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene?
3,3,4-trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene has a molecular weight of 312.05 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-1,2,4-tris(trifluoromethyl)cyclobutene is sourced from PubChem (CID 12708034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).