3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene

C13F24 — CID 155681393

IUPAC3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene
SMILESFC(F)(F)C(C1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13F24/c14-5(15)1(3(8(20,21)22,9(23,24)25)10(26,27)28)2(6(16,17)7(5,18)19)4(11(29,30)31,12(32,33)34)13(35,36)37
InChIKeyBOQALOAZSJWGOT-UHFFFAOYSA-N
MW612.09 g/mol
LogP8.55
Rot. Bonds2

About 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene

3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene (PubChem CID 155681393) has the molecular formula C13F24 and a molecular weight of 612.09 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene
PubChem CID155681393
Molecular FormulaC13F24
Molecular Weight612.09 g/mol
Exact Mass611.96
IUPAC Name3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene
SMILESFC(F)(F)C(C1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13F24/c14-5(15)1(3(8(20,21)22,9(23,24)25)10(26,27)28)2(6(16,17)7(5,18)19)4(11(29,30)31,12(32,33)34)13(35,36)37
InChIKeyBOQALOAZSJWGOT-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.09
LogP ≤ 58.55
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[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene (CID 155681393) is 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene is FC(F)(F)C(C1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene?
The InChIKey is BOQALOAZSJWGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F24/c14-5(15)1(3(8(20,21)22,9(23,24)25)10(26,27)28)2(6(16,17)7(5,18)19)4(11(29,30)31,12(32,33)34)13(35,36)37.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene?
3,3,4,4,5,5-hexafluoro-1,2-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene has a molecular weight of 612.09 g/mol, XLogP of 8.55, 2 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[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene is sourced from PubChem (CID 155681393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).