1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene

C8H3F13 — CID 138396287

IUPAC1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene
SMILESFC(=CCC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F13/c9-3(1-2-4(10,11)7(16,17)18)5(12,13)6(14,15)8(19,20)21/h1H,2H2
InChIKeyIGVITSLVCFQODG-UHFFFAOYSA-N
MW346.09 g/mol
LogP5.26
Rot. Bonds4

About 1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene

1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene (PubChem CID 138396287) has the molecular formula C8H3F13 and a molecular weight of 346.09 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene
PubChem CID138396287
Molecular FormulaC8H3F13
Molecular Weight346.09 g/mol
Exact Mass346.00
IUPAC Name1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene
SMILESFC(=CCC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F13/c9-3(1-2-4(10,11)7(16,17)18)5(12,13)6(14,15)8(19,20)21/h1H,2H2
InChIKeyIGVITSLVCFQODG-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.09
LogP ≤ 55.26
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

(E)-1,1,1,2,2,5,5,6,6,6-Decafluoro-3-hexene (HFO-153-10mczz-E)
CID 19780784
1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-Octadecafluoro-5-decene
CID 128620
1,3,3,4,4,5,5-Heptafluorocyclopentene
CID 11769384
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
1,1,1,4,4,5,5,6,6,7,7,7-Dodecafluorohept-2-ene
CID 73985454
1,1,1,2,2,5,5,6,6,7,7,7-Dodecafluorohept-3-ene
CID 76545605
1,1,1,4,4,5,5,6,6,7,7,8,8,8-Tetradecafluorooct-2-ene
CID 76545607

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene?
The IUPAC name of 1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene (CID 138396287) is 1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene.
What is the SMILES notation for 1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene?
The canonical SMILES for 1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene is FC(=CCC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene?
The InChIKey is IGVITSLVCFQODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F13/c9-3(1-2-4(10,11)7(16,17)18)5(12,13)6(14,15)8(19,20)21/h1H,2H2.
What are the key properties of 1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene?
1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene has a molecular weight of 346.09 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene is sourced from PubChem (CID 138396287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).