1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene

C9H2F16 — CID 76545610

IUPAC1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H2F16/c10-3(11,5(14,15)7(18,19)9(23,24)25)1-2-4(12,13)6(16,17)8(20,21)22/h1-2H
InChIKeyKIUZUQZPXYDQBR-UHFFFAOYSA-N
MW414.08 g/mol
LogP5.84
Rot. Bonds5

About 1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene

1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene (PubChem CID 76545610) has the molecular formula C9H2F16 and a molecular weight of 414.08 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene
PubChem CID76545610
Molecular FormulaC9H2F16
Molecular Weight414.08 g/mol
Exact Mass413.99
IUPAC Name1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H2F16/c10-3(11,5(14,15)7(18,19)9(23,24)25)1-2-4(12,13)6(16,17)8(20,21)22/h1-2H
InChIKeyKIUZUQZPXYDQBR-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.08
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene with MolForge

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Related Compounds

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CID 19780784
1H,2H-Hexafluorocyclopentene
CID 11309822
1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-Octadecafluoro-5-decene
CID 128620
Bis(perfluoro-n-hexyl)-1,2-ethylene
CID 5702909
1,3,3,4,4,5,5-Heptafluorocyclopentene
CID 11769384
1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,14-Hexacosafluorotetradec-7-ene
CID 124330
4-Octene, 1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluoro-
CID 12751148
(2E)-1,1,1,4,4,5,5,6,6,6-Decafluorohex-2-ene
CID 12951081
(5E)-5H,6H-Octadecafluorodec-5-ene
CID 5702804
1,1,1,2,2,3,3,6,6,7,7,8,8,8-Tetradecafluorooct-4-ene
CID 54112968
1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,10,10,10-Octadecafluorodec-4-ene
CID 73985452
1,1,1,2,2,5,5,6,6,7,7,8,8,8-Tetradecafluorooct-3-ene
CID 73985453

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene?
The IUPAC name of 1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene (CID 76545610) is 1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene.
What is the SMILES notation for 1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene?
The canonical SMILES for 1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene is FC(F)(F)C(F)(F)C(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene?
The InChIKey is KIUZUQZPXYDQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F16/c10-3(11,5(14,15)7(18,19)9(23,24)25)1-2-4(12,13)6(16,17)8(20,21)22/h1-2H.
What are the key properties of 1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene?
1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene has a molecular weight of 414.08 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene is sourced from PubChem (CID 76545610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).