1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooct-1-ene

C8H3F13 — CID 22014472

IUPAC1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooct-1-ene
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C8H3F13/c1-4(12,13)6(16,17)8(20,21)7(18,19)5(14,15)2(9)3(10)11/h1H3
InChIKeyJYMSPBVVYIOHEV-UHFFFAOYSA-N
MW346.09 g/mol
LogP5.26
Rot. Bonds5

About 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooct-1-ene

1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooct-1-ene (PubChem CID 22014472) has the molecular formula C8H3F13 and a molecular weight of 346.09 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooct-1-ene.

Molecular Properties

Compound Name1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooct-1-ene
PubChem CID22014472
Molecular FormulaC8H3F13
Molecular Weight346.09 g/mol
Exact Mass346.00
IUPAC Name1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooct-1-ene
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C8H3F13/c1-4(12,13)6(16,17)8(20,21)7(18,19)5(14,15)2(9)3(10)11/h1H3
InChIKeyJYMSPBVVYIOHEV-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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

Perfluorooct-1-ene
CID 2782409
1,1,2-Trifluorooct-1-ene
CID 2760788
1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooct-1-ene
CID 12824723
(1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooct-1-ene
CID 12835212
8-1 Olefin
CID 162345601
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Tetracosafluorotridec-1-ene
CID 162345261
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-Octacosafluoropentadec-1-ene
CID 162345377
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoronona-1,2-diene
CID 11337264
4aCyanoa2acyclop9-Methylperfluoronon-1-eneropyla1Haimidazola3aium hydroxide
CID 18359529
1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooct-1-ene
CID 22057035
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-Pentadecafluoro-1-octene
CID 12576186
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Nonadecafluorodec-1-ene
CID 14675665

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooct-1-ene?
The IUPAC name of 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooct-1-ene (CID 22014472) is 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooct-1-ene.
What is the SMILES notation for 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooct-1-ene?
The canonical SMILES for 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooct-1-ene is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooct-1-ene?
The InChIKey is JYMSPBVVYIOHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F13/c1-4(12,13)6(16,17)8(20,21)7(18,19)5(14,15)2(9)3(10)11/h1H3.
What are the key properties of 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooct-1-ene?
1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooct-1-ene has a molecular weight of 346.09 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,5,5,6,6,7,7-tridecafluorooct-1-ene is sourced from PubChem (CID 22014472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).