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

C12F22 — CID 155681391

IUPAC1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclopentene
SMILESFC1=C(C(C(F)(F)F)(C(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/C12F22/c13-2-1(4(14,15)8(21,22)5(2,16)17)3(9(23,24)25,7(19,20)12(32,33)34)6(18,10(26,27)28)11(29,30)31
InChIKeyCZGDORINDYIKJL-UHFFFAOYSA-N
MW562.09 g/mol
LogP7.71
Rot. Bonds3

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

1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclopentene (PubChem CID 155681391) has the molecular formula C12F22 and a molecular weight of 562.09 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclopentene
PubChem CID155681391
Molecular FormulaC12F22
Molecular Weight562.09 g/mol
Exact Mass561.96
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclopentene
SMILESFC1=C(C(C(F)(F)F)(C(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/C12F22/c13-2-1(4(14,15)8(21,22)5(2,16)17)3(9(23,24)25,7(19,20)12(32,33)34)6(18,10(26,27)28)11(29,30)31
InChIKeyCZGDORINDYIKJL-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.09
LogP ≤ 57.71
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

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CID 15628708
1,3,3,4,4-Pentafluoro-2-[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene
CID 12563821
1,1,1,4,4,5,5,6,7,8,8,8-Dodecafluoro-2,3,6,7-tetrakis(trifluoromethyl)oct-2-ene
CID 12710298
1,3,3,4,4,5,5-Heptafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene
CID 14007677
1,4,5,5-Tetrafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-bis(trifluoromethyl)cyclopentene
CID 134879577
Perfluoro[1-(1-ethyl-1-methylpropyl)]cyclohexene
CID 550630
1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)cyclohexane
CID 12563816
1-[1,1,1,3,3,4,4,5,5,5-Decafluoro-2-(trifluoromethyl)pentan-2-yl]-2,3,3,4,4-pentafluorocyclobutene
CID 12563822
4,4-Difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclobutene
CID 12600360
1,3,3,4,4,5,6,6-Octafluoro-2-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-5-(trifluoromethyl)cyclohexene
CID 91695339
3,3,4,4,5,5-Hexafluoro-1,2-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
CID 12563818
(E)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene
CID 20384747

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclopentene (CID 155681391) is 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclopentene is FC1=C(C(C(F)(F)F)(C(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-[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclopentene?
The InChIKey is CZGDORINDYIKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F22/c13-2-1(4(14,15)8(21,22)5(2,16)17)3(9(23,24)25,7(19,20)12(32,33)34)6(18,10(26,27)28)11(29,30)31.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclopentene has a molecular weight of 562.09 g/mol, XLogP of 7.71, 3 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-[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclopentene is sourced from PubChem (CID 155681391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).