1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopentene

C10F18 — CID 155681372

IUPAC1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopentene
SMILESFC1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10F18/c11-2-1(4(12,13)7(18,19)5(2,14)15)3(8(20,21)22,9(23,24)25)6(16,17)10(26,27)28
InChIKeyRJZCPQSTMHQNFI-UHFFFAOYSA-N
MW462.07 g/mol
LogP6.44
Rot. Bonds2

About 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopentene

1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopentene (PubChem CID 155681372) has the molecular formula C10F18 and a molecular weight of 462.07 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopentene
PubChem CID155681372
Molecular FormulaC10F18
Molecular Weight462.07 g/mol
Exact Mass461.97
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopentene
SMILESFC1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10F18/c11-2-1(4(12,13)7(18,19)5(2,14)15)3(8(20,21)22,9(23,24)25)6(16,17)10(26,27)28
InChIKeyRJZCPQSTMHQNFI-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.07
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopentene (CID 155681372) is 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopentene is FC1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(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-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopentene?
The InChIKey is RJZCPQSTMHQNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18/c11-2-1(4(12,13)7(18,19)5(2,14)15)3(8(20,21)22,9(23,24)25)6(16,17)10(26,27)28.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopentene has a molecular weight of 462.07 g/mol, XLogP of 6.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclopentene is sourced from PubChem (CID 155681372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).