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

C9H2F16 — CID 139835421

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

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

1,1,3,4,4,5,6,6,7,7,8,8,8-tridecafluoro-5-(trifluoromethyl)oct-1-ene (PubChem CID 139835421) has the molecular formula C9H2F16 and a molecular weight of 414.08 g/mol. Its IUPAC name is 1,1,3,4,4,5,6,6,7,7,8,8,8-tridecafluoro-5-(trifluoromethyl)oct-1-ene.

Molecular Properties

Compound Name1,1,3,4,4,5,6,6,7,7,8,8,8-tridecafluoro-5-(trifluoromethyl)oct-1-ene
PubChem CID139835421
Molecular FormulaC9H2F16
Molecular Weight414.08 g/mol
Exact Mass413.99
IUPAC Name1,1,3,4,4,5,6,6,7,7,8,8,8-tridecafluoro-5-(trifluoromethyl)oct-1-ene
SMILESFC(F)=CC(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H2F16/c10-2(1-3(11)12)4(13,14)5(15,8(20,21)22)6(16,17)7(18,19)9(23,24)25/h1-2H
InChIKeyMMMWRCWIHDQVRX-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 1,1,3,4,4,5,6,6,7,7,8,8,8-tridecafluoro-5-(trifluoromethyl)oct-1-ene with MolForge

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Related Compounds

3-Ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene
CID 18755105
1-Ethenyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
CID 18961385
5-Ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
CID 54450111
4-(2,2-Difluoroethenyl)-1,1,1,2,6,7,7,7-octafluoro-2,6-bis(trifluoromethyl)heptane
CID 58915554
1,1,5,6,6,6-Hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene
CID 58915577
3,3,4,4,5,5,6-Heptafluoro-6-(1,1,2,2,2-pentafluoroethyl)octa-1,7-diene
CID 87422931
1,1,5,6,6,6-Hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene
CID 88590970
3,3,4,4,5,5,6,6,7,7,8-Undecafluoro-8-(1,1,2,2,2-pentafluoroethyl)deca-1,9-diene
CID 91588950
3,3,4,4,5,5,6,6,7,8,8,8-Dodecafluoro-7-(trifluoromethyl)oct-1-ene
CID 138678322
1,1,3,3,5,5,7,7,9,10,10,11,11,11-Tetradecafluoro-9-(trifluoromethyl)undec-1-ene
CID 139624037
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Icosafluoro-11-(trifluoromethyl)dodec-1-ene
CID 139713638
3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-Hexadecafluoro-9-(trifluoromethyl)dec-1-ene
CID 139713639

Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,4,5,6,6,7,7,8,8,8-tridecafluoro-5-(trifluoromethyl)oct-1-ene?
The IUPAC name of 1,1,3,4,4,5,6,6,7,7,8,8,8-tridecafluoro-5-(trifluoromethyl)oct-1-ene (CID 139835421) is 1,1,3,4,4,5,6,6,7,7,8,8,8-tridecafluoro-5-(trifluoromethyl)oct-1-ene.
What is the SMILES notation for 1,1,3,4,4,5,6,6,7,7,8,8,8-tridecafluoro-5-(trifluoromethyl)oct-1-ene?
The canonical SMILES for 1,1,3,4,4,5,6,6,7,7,8,8,8-tridecafluoro-5-(trifluoromethyl)oct-1-ene is FC(F)=CC(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,3,4,4,5,6,6,7,7,8,8,8-tridecafluoro-5-(trifluoromethyl)oct-1-ene?
The InChIKey is MMMWRCWIHDQVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F16/c10-2(1-3(11)12)4(13,14)5(15,8(20,21)22)6(16,17)7(18,19)9(23,24)25/h1-2H.
What are the key properties of 1,1,3,4,4,5,6,6,7,7,8,8,8-tridecafluoro-5-(trifluoromethyl)oct-1-ene?
1,1,3,4,4,5,6,6,7,7,8,8,8-tridecafluoro-5-(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 1,1,3,4,4,5,6,6,7,7,8,8,8-tridecafluoro-5-(trifluoromethyl)oct-1-ene is sourced from PubChem (CID 139835421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).