2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene

C9H2F16 — CID 162345601

IUPAC2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene
SMILESC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H2F16/c1-2(10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)25/h1H2
InChIKeyWYSIIRZUWIQJCG-UHFFFAOYSA-N
MW414.08 g/mol
LogP5.84
Rot. Bonds6

About 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene

2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene (PubChem CID 162345601) has the molecular formula C9H2F16 and a molecular weight of 414.08 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene.

Molecular Properties

Compound Name2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene
PubChem CID162345601
Molecular FormulaC9H2F16
Molecular Weight414.08 g/mol
Exact Mass413.99
IUPAC Name2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene
SMILESC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H2F16/c1-2(10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)25/h1H2
InChIKeyWYSIIRZUWIQJCG-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene?
The IUPAC name of 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene (CID 162345601) is 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene.
What is the SMILES notation for 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene?
The canonical SMILES for 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene is C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene?
The InChIKey is WYSIIRZUWIQJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F16/c1-2(10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)25/h1H2.
What are the key properties of 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene?
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene has a molecular weight of 414.08 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene is sourced from PubChem (CID 162345601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).