3,3,4,4,5,5-hexafluoro-1,2-bis(trifluoromethyl)cyclopentene

C7F12 — CID 13197615

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

About 3,3,4,4,5,5-hexafluoro-1,2-bis(trifluoromethyl)cyclopentene

3,3,4,4,5,5-hexafluoro-1,2-bis(trifluoromethyl)cyclopentene (PubChem CID 13197615) has the molecular formula C7F12 and a molecular weight of 312.05 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1,2-bis(trifluoromethyl)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1,2-bis(trifluoromethyl)cyclopentene
PubChem CID13197615
Molecular FormulaC7F12
Molecular Weight312.05 g/mol
Exact Mass311.98
IUPAC Name3,3,4,4,5,5-hexafluoro-1,2-bis(trifluoromethyl)cyclopentene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7F12/c8-3(9)1(5(12,13)14)2(6(15,16)17)4(10,11)7(3,18)19
InChIKeyDAGMJGQWYJLOEV-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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis(trifluoromethyl)cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis(trifluoromethyl)cyclopentene (CID 13197615) is 3,3,4,4,5,5-hexafluoro-1,2-bis(trifluoromethyl)cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1,2-bis(trifluoromethyl)cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1,2-bis(trifluoromethyl)cyclopentene is FC(F)(F)C1=C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1,2-bis(trifluoromethyl)cyclopentene?
The InChIKey is DAGMJGQWYJLOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F12/c8-3(9)1(5(12,13)14)2(6(15,16)17)4(10,11)7(3,18)19.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1,2-bis(trifluoromethyl)cyclopentene?
3,3,4,4,5,5-hexafluoro-1,2-bis(trifluoromethyl)cyclopentene 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 3,3,4,4,5,5-hexafluoro-1,2-bis(trifluoromethyl)cyclopentene is sourced from PubChem (CID 13197615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).