1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene

C8F16 — CID 73077840

IUPAC1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
SMILESFC(=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8F16/c9-2(5(13,14)15)1(4(11,12)8(22,23)24)3(10,6(16,17)18)7(19,20)21
InChIKeyWUOLIJJSAIZFOF-UHFFFAOYSA-N
MW400.06 g/mol
LogP5.80
Rot. Bonds2

About 1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene

1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene (PubChem CID 73077840) has the molecular formula C8F16 and a molecular weight of 400.06 g/mol. Its IUPAC name is 1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
PubChem CID73077840
Molecular FormulaC8F16
Molecular Weight400.06 g/mol
Exact Mass399.97
IUPAC Name1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
SMILESFC(=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8F16/c9-2(5(13,14)15)1(4(11,12)8(22,23)24)3(10,6(16,17)18)7(19,20)21
InChIKeyWUOLIJJSAIZFOF-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.06
LogP ≤ 55.80
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

1,1,1,4,5,5,5-Heptafluoro-3-(pentafluoroethyl)-2,4-bis(trifluoromethyl)pent-2-ene
CID 121670
(2Z)-1,1,1,2,4,4,5,5,5-Nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
CID 9908930
(2E)-1,1,1,2,4,4,5,5,5-Nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
CID 11732112
Perfluoro(3-isopropyl-4-methyl-2-pentene)
CID 12708035
Perfluoromethyl(diisopropyl) ethylene
CID 54050815
Perfluoro-2,6,6-trimethyl-2-heptene
CID 12660884
Perfluoro-2,4-dimethyl-3-heptene
CID 53830652
1,1,1,2,2,5,5,6,6,6-Decafluoro-3,4-bis(trifluoromethyl)hex-3-ene
CID 54539248
1,1,1,2,3,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)-3-heptene
CID 12584481
Z-Perfluoro-2,4-dimethyl-3-heptene
CID 21731443
1,3,3,4,4-Pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclobutene
CID 155681381
3,4-Bis(trifluoromethyl)decafluoro-3-hexene
CID 9952797

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene?
The IUPAC name of 1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene (CID 73077840) is 1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene.
What is the SMILES notation for 1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene?
The canonical SMILES for 1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene is FC(=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene?
The InChIKey is WUOLIJJSAIZFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F16/c9-2(5(13,14)15)1(4(11,12)8(22,23)24)3(10,6(16,17)18)7(19,20)21.
What are the key properties of 1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene?
1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene has a molecular weight of 400.06 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene is sourced from PubChem (CID 73077840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).