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

C12F18 — CID 12661372

IUPAC3,3,4,4,5,5-hexafluoro-1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]-2-(trifluoromethyl)cyclopentene
SMILESFC(F)(F)C1=C(C2=C(C(F)(F)F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12F18/c13-5(14)1(3(9(21,22)23)7(17,18)11(5,27)28)2-4(10(24,25)26)8(19,20)12(29,30)6(2,15)16
InChIKeyVIGKZQPQZZROCL-UHFFFAOYSA-N
MW486.10 g/mol
LogP6.54
Rot. Bonds1

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

3,3,4,4,5,5-hexafluoro-1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]-2-(trifluoromethyl)cyclopentene (PubChem CID 12661372) has the molecular formula C12F18 and a molecular weight of 486.10 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]-2-(trifluoromethyl)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]-2-(trifluoromethyl)cyclopentene
PubChem CID12661372
Molecular FormulaC12F18
Molecular Weight486.10 g/mol
Exact Mass485.97
IUPAC Name3,3,4,4,5,5-hexafluoro-1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]-2-(trifluoromethyl)cyclopentene
SMILESFC(F)(F)C1=C(C2=C(C(F)(F)F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12F18/c13-5(14)1(3(9(21,22)23)7(17,18)11(5,27)28)2-4(10(24,25)26)8(19,20)12(29,30)6(2,15)16
InChIKeyVIGKZQPQZZROCL-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.10
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene
CID 15579289
3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 167433155
3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene
CID 23233385
1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene
CID 134977949
1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene
CID 12697774
3-chloro-3-[chloro(difluoro)methyl]-1,4,4-trifluoro-2-(trifluoromethyl)cyclobutene
CID 23233386
1,2,6,7,10,10-hexafluoro-8,9-bis(trifluoromethyl)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 139919656
1,3-difluoro-2,3,4,4-tetrakis(trifluoromethyl)cyclobutene
CID 154989601
3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene
CID 66633253
1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol
CID 88652943
ethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane
CID 143423898
3,3,4,4,5,5-hexafluoropiperidine-2,6-dione
CID 12681002

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]-2-(trifluoromethyl)cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]-2-(trifluoromethyl)cyclopentene (CID 12661372) is 3,3,4,4,5,5-hexafluoro-1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]-2-(trifluoromethyl)cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]-2-(trifluoromethyl)cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]-2-(trifluoromethyl)cyclopentene is FC(F)(F)C1=C(C2=C(C(F)(F)F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]-2-(trifluoromethyl)cyclopentene?
The InChIKey is VIGKZQPQZZROCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F18/c13-5(14)1(3(9(21,22)23)7(17,18)11(5,27)28)2-4(10(24,25)26)8(19,20)12(29,30)6(2,15)16.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]-2-(trifluoromethyl)cyclopentene?
3,3,4,4,5,5-hexafluoro-1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]-2-(trifluoromethyl)cyclopentene has a molecular weight of 486.10 g/mol, XLogP of 6.54, 1 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-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]-2-(trifluoromethyl)cyclopentene is sourced from PubChem (CID 12661372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).