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

C13F24 — CID 155681373

IUPAC3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopentene
SMILESFC(F)(F)C(F)(F)C(F)(C1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C13F24/c14-3(10(26,27)28,7(20,21)12(32,33)34)1-2(6(18,19)9(24,25)5(1,16)17)4(15,11(29,30)31)8(22,23)13(35,36)37
InChIKeyHOFQWKQPOMGCBL-UHFFFAOYSA-N
MW612.09 g/mol
LogP8.14
Rot. Bonds4

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

3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopentene (PubChem CID 155681373) 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(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopentene
PubChem CID155681373
Molecular FormulaC13F24
Molecular Weight612.09 g/mol
Exact Mass611.96
IUPAC Name3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopentene
SMILESFC(F)(F)C(F)(F)C(F)(C1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C13F24/c14-3(10(26,27)28,7(20,21)12(32,33)34)1-2(6(18,19)9(24,25)5(1,16)17)4(15,11(29,30)31)8(22,23)13(35,36)37
InChIKeyHOFQWKQPOMGCBL-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.09
LogP ≤ 58.14
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'}

Analyze 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopentene (CID 155681373) is 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopentene is FC(F)(F)C(F)(F)C(F)(C1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopentene?
The InChIKey is HOFQWKQPOMGCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F24/c14-3(10(26,27)28,7(20,21)12(32,33)34)1-2(6(18,19)9(24,25)5(1,16)17)4(15,11(29,30)31)8(22,23)13(35,36)37.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopentene?
3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopentene has a molecular weight of 612.09 g/mol, XLogP of 8.14, 4 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(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclopentene is sourced from PubChem (CID 155681373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).