6,6,7,7,8,9,9,9-octafluoro-8-(trifluoromethyl)non-2-ene

C10H9F11 — CID 158803138

IUPAC6,6,7,7,8,9,9,9-octafluoro-8-(trifluoromethyl)non-2-ene
SMILESCC=CCCC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F11/c1-2-3-4-5-6(11,12)8(14,15)7(13,9(16,17)18)10(19,20)21/h2-3H,4-5H2,1H3
InChIKeyITSWNMIZSPKPJK-UHFFFAOYSA-N
MW338.16 g/mol
LogP5.45
Rot. Bonds5

About 6,6,7,7,8,9,9,9-octafluoro-8-(trifluoromethyl)non-2-ene

6,6,7,7,8,9,9,9-octafluoro-8-(trifluoromethyl)non-2-ene (PubChem CID 158803138) has the molecular formula C10H9F11 and a molecular weight of 338.16 g/mol. Its IUPAC name is 6,6,7,7,8,9,9,9-octafluoro-8-(trifluoromethyl)non-2-ene.

Molecular Properties

Compound Name6,6,7,7,8,9,9,9-octafluoro-8-(trifluoromethyl)non-2-ene
PubChem CID158803138
Molecular FormulaC10H9F11
Molecular Weight338.16 g/mol
Exact Mass338.05
IUPAC Name6,6,7,7,8,9,9,9-octafluoro-8-(trifluoromethyl)non-2-ene
SMILESCC=CCCC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F11/c1-2-3-4-5-6(11,12)8(14,15)7(13,9(16,17)18)10(19,20)21/h2-3H,4-5H2,1H3
InChIKeyITSWNMIZSPKPJK-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.16
LogP ≤ 55.45
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'}

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Related Compounds

(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
CID 5708696
(6E)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-Heptadecafluoropentadec-6-ene
CID 10864207
(6E)-8,8,9,9,10,10,11,11,12,12,13,13,13-Tridecafluorotridec-6-ene
CID 11761506
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorotetradec-7-ene
CID 2776180
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-nonene
CID 2776255
7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Pentadecafluorotridec-5-ene
CID 54254754
(5E)-7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Heptadecafluorotetradec-5-ene
CID 13722135
(5E)-1,1,1,2,2,3,3,4,4-Nonafluorododec-5-ene
CID 14043465
1,1,1,2,2,3,3,4,4-Nonafluoroundec-5-ene
CID 85799506
(4E)-1,1,1,2,2,3,3-Heptafluorodec-4-ene
CID 98041497
8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Pentadecafluorotetradec-6-ene
CID 138396311
1,1,1,2,2,3,3,4,4-Nonafluorododec-5-ene
CID 53917581

Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,9,9,9-octafluoro-8-(trifluoromethyl)non-2-ene?
The IUPAC name of 6,6,7,7,8,9,9,9-octafluoro-8-(trifluoromethyl)non-2-ene (CID 158803138) is 6,6,7,7,8,9,9,9-octafluoro-8-(trifluoromethyl)non-2-ene.
What is the SMILES notation for 6,6,7,7,8,9,9,9-octafluoro-8-(trifluoromethyl)non-2-ene?
The canonical SMILES for 6,6,7,7,8,9,9,9-octafluoro-8-(trifluoromethyl)non-2-ene is CC=CCCC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6,6,7,7,8,9,9,9-octafluoro-8-(trifluoromethyl)non-2-ene?
The InChIKey is ITSWNMIZSPKPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F11/c1-2-3-4-5-6(11,12)8(14,15)7(13,9(16,17)18)10(19,20)21/h2-3H,4-5H2,1H3.
What are the key properties of 6,6,7,7,8,9,9,9-octafluoro-8-(trifluoromethyl)non-2-ene?
6,6,7,7,8,9,9,9-octafluoro-8-(trifluoromethyl)non-2-ene has a molecular weight of 338.16 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,9,9,9-octafluoro-8-(trifluoromethyl)non-2-ene is sourced from PubChem (CID 158803138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).