1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene

C9H5F13 — CID 54309719

IUPAC1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene
SMILESCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=CF
InChIInChI=1S/C9H5F13/c1-3(11)5(13,14)7(17,18)9(21,22)8(19,20)6(15,16)4(12)2-10/h2-3H,1H3
InChIKeyRUHFTZSHCHTWJJ-UHFFFAOYSA-N
MW360.11 g/mol
LogP5.30
Rot. Bonds6

About 1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene

1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene (PubChem CID 54309719) has the molecular formula C9H5F13 and a molecular weight of 360.11 g/mol. Its IUPAC name is 1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene.

Molecular Properties

Compound Name1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene
PubChem CID54309719
Molecular FormulaC9H5F13
Molecular Weight360.11 g/mol
Exact Mass360.02
IUPAC Name1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene
SMILESCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=CF
InChIInChI=1S/C9H5F13/c1-3(11)5(13,14)7(17,18)9(21,22)8(19,20)6(15,16)4(12)2-10/h2-3H,1H3
InChIKeyRUHFTZSHCHTWJJ-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.11
LogP ≤ 55.30
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

1,2,3,3,4,4,4-heptafluorobut-1-ene
CID 158100137
trimethyl(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane
CID 87918105
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-henicosafluorododecyl prop-2-enoate
CID 87290750
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl prop-2-enoate
CID 18679053
1-[1,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-2-enyl(methyl)amino]ethanol
CID 173422813
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctane-1-sulfonate
CID 122480897
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorononane-1-sulfonate
CID 122481814
1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid
CID 122480790
1,1,2,2,3,3,4,4,5-nonafluorohexyl dihydrogen phosphate
CID 87764852
1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl 2-methylprop-2-enoate
CID 54400013
lithium 1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonate
CID 122481409
tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane
CID 87967611

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene?
The IUPAC name of 1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene (CID 54309719) is 1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene.
What is the SMILES notation for 1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene?
The canonical SMILES for 1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene is CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=CF.
What is the InChIKey of 1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene?
The InChIKey is RUHFTZSHCHTWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F13/c1-3(11)5(13,14)7(17,18)9(21,22)8(19,20)6(15,16)4(12)2-10/h2-3H,1H3.
What are the key properties of 1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene?
1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene has a molecular weight of 360.11 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene is sourced from PubChem (CID 54309719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).