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

C6HF9 — CID 15474242

IUPAC3,3,4,4,5,5-hexafluoro-1-(trifluoromethyl)cyclopentene
SMILESFC(F)(F)C1=CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6HF9/c7-3(8)1-2(5(11,12)13)4(9,10)6(3,14)15/h1H
InChIKeyHZKOWJLMLRREEX-UHFFFAOYSA-N
MW244.06 g/mol
LogP3.39
Rot. Bonds

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

3,3,4,4,5,5-hexafluoro-1-(trifluoromethyl)cyclopentene (PubChem CID 15474242) has the molecular formula C6HF9 and a molecular weight of 244.06 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-(trifluoromethyl)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-(trifluoromethyl)cyclopentene
PubChem CID15474242
Molecular FormulaC6HF9
Molecular Weight244.06 g/mol
Exact Mass243.99
IUPAC Name3,3,4,4,5,5-hexafluoro-1-(trifluoromethyl)cyclopentene
SMILESFC(F)(F)C1=CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6HF9/c7-3(8)1-2(5(11,12)13)4(9,10)6(3,14)15/h1H
InChIKeyHZKOWJLMLRREEX-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 53.39
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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Related Compounds

1H,2H-Hexafluorocyclopentene
CID 11309822
1,3,3,4,4,5,5-Heptafluorocyclopentene
CID 11769384
1,3,3,4,4,5,5,6,6-Nonafluorocyclohexene
CID 534168
1,4,4,5,5-Pentafluorocyclopentene
CID 12909412
Pentafluoromethylcyclopent-1-ene
CID 87084299
1,3,3,4,4,5,6,6-Octafluorocyclohexene
CID 20476461
3,3-Difluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclopropene
CID 21731909
3,3,4,4-Tetrafluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclobutene
CID 140118160
1-(Difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohex-1-ene
CID 14023041
1-(Trifluoromethyl)cyclopentene
CID 13196956
3,3,4,4,5,5,6,6-Octafluoro-1-(trifluoromethyl)cyclohexene
CID 14023042
1,3,3,4,5,5-Hexafluorocyclopentene
CID 18520876

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(trifluoromethyl)cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(trifluoromethyl)cyclopentene (CID 15474242) is 3,3,4,4,5,5-hexafluoro-1-(trifluoromethyl)cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-(trifluoromethyl)cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-(trifluoromethyl)cyclopentene is FC(F)(F)C1=CC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-(trifluoromethyl)cyclopentene?
The InChIKey is HZKOWJLMLRREEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF9/c7-3(8)1-2(5(11,12)13)4(9,10)6(3,14)15/h1H.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-(trifluoromethyl)cyclopentene?
3,3,4,4,5,5-hexafluoro-1-(trifluoromethyl)cyclopentene has a molecular weight of 244.06 g/mol, XLogP of 3.39, 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-(trifluoromethyl)cyclopentene is sourced from PubChem (CID 15474242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).