1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene

C6F10O — CID 134245341

IUPAC1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene
SMILESFC1=C(OC(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6F10O/c7-1-2(17-6(14,15)16)4(10,11)5(12,13)3(1,8)9
InChIKeyDKACIBCFSKOUDE-UHFFFAOYSA-N
MW278.05 g/mol
LogP3.62
Rot. Bonds1

About 1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene

1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene (PubChem CID 134245341) has the molecular formula C6F10O and a molecular weight of 278.05 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene
PubChem CID134245341
Molecular FormulaC6F10O
Molecular Weight278.05 g/mol
Exact Mass277.98
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene
SMILESFC1=C(OC(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6F10O/c7-1-2(17-6(14,15)16)4(10,11)5(12,13)3(1,8)9
InChIKeyDKACIBCFSKOUDE-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene (CID 134245341) is 1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene is FC1=C(OC(F)(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene?
The InChIKey is DKACIBCFSKOUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10O/c7-1-2(17-6(14,15)16)4(10,11)5(12,13)3(1,8)9.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene has a molecular weight of 278.05 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethoxy)cyclopentene is sourced from PubChem (CID 134245341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).