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

C11F20 — CID 155681388

IUPAC1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclopentene
SMILESFC1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11F20/c12-2-1(4(13,14)7(18,19)5(2,15)16)3(8(20,21)22,9(23,24)25)6(17,10(26,27)28)11(29,30)31
InChIKeyHHKZHJOJOKKWQM-UHFFFAOYSA-N
MW512.08 g/mol
LogP7.07
Rot. Bonds2

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

1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclopentene (PubChem CID 155681388) has the molecular formula C11F20 and a molecular weight of 512.08 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclopentene
PubChem CID155681388
Molecular FormulaC11F20
Molecular Weight512.08 g/mol
Exact Mass511.97
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclopentene
SMILESFC1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11F20/c12-2-1(4(13,14)7(18,19)5(2,15)16)3(8(20,21)22,9(23,24)25)6(17,10(26,27)28)11(29,30)31
InChIKeyHHKZHJOJOKKWQM-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.08
LogP ≤ 57.07
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-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclopentene (CID 155681388) is 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclopentene is FC1=C(C(C(F)(F)F)(C(F)(F)F)C(F)(C(F)(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-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclopentene?
The InChIKey is HHKZHJOJOKKWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F20/c12-2-1(4(13,14)7(18,19)5(2,15)16)3(8(20,21)22,9(23,24)25)6(17,10(26,27)28)11(29,30)31.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclopentene has a molecular weight of 512.08 g/mol, XLogP of 7.07, 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-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclopentene is sourced from PubChem (CID 155681388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).