1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene

C9H2F16 — CID 159211842

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

About 1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene

1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene (PubChem CID 159211842) has the molecular formula C9H2F16 and a molecular weight of 414.08 g/mol. Its IUPAC name is 1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene.

Molecular Properties

Compound Name1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene
PubChem CID159211842
Molecular FormulaC9H2F16
Molecular Weight414.08 g/mol
Exact Mass413.99
IUPAC Name1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene
SMILESFC(F)=CC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C9H2F16/c10-2(11)1-4(13,9(23,24)25)7(19,20)8(21,22)5(14,15)3(12)6(16,17)18/h1,3H
InChIKeyCVWLBBFSUCENIV-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': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene with MolForge

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Related Compounds

1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride
CID 162621477
1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine
CID 175166868
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluorodecoxyboronic acid
CID 142730905
1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol
CID 91384893
1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol
CID 174363014
1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol
CID 10014064
3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol
CID 13442056
magnesium;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;fluoride;hydrobromide
CID 175316983
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-hexadecafluorooctane-1-sulfonate
CID 141492086
3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene
CID 134873275
1,1,1,2,3,3,4,4-octafluoropentane
CID 12829393
1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol
CID 87660779

Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene?
The IUPAC name of 1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene (CID 159211842) is 1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene.
What is the SMILES notation for 1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene?
The canonical SMILES for 1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene is FC(F)=CC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene?
The InChIKey is CVWLBBFSUCENIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F16/c10-2(11)1-4(13,9(23,24)25)7(19,20)8(21,22)5(14,15)3(12)6(16,17)18/h1,3H.
What are the key properties of 1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene?
1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-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 1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene is sourced from PubChem (CID 159211842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).