1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene

C16H23F9 — CID 54256796

IUPAC1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene
SMILESCCCCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H23F9/c1-2-3-4-5-6-7-8-9-10-11-12-13(17,18)14(19,20)15(21,22)16(23,24)25/h11-12H,2-10H2,1H3
InChIKeyRAQFLOSJQUOABH-UHFFFAOYSA-N
MW386.34 g/mol
LogP7.54
Rot. Bonds12

About 1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene

1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene (PubChem CID 54256796) has the molecular formula C16H23F9 and a molecular weight of 386.34 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene
PubChem CID54256796
Molecular FormulaC16H23F9
Molecular Weight386.34 g/mol
Exact Mass386.17
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene
SMILESCCCCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H23F9/c1-2-3-4-5-6-7-8-9-10-11-12-13(17,18)14(19,20)15(21,22)16(23,24)25/h11-12H,2-10H2,1H3
InChIKeyRAQFLOSJQUOABH-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.34
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene (CID 54256796) is 1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene is CCCCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene?
The InChIKey is RAQFLOSJQUOABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F9/c1-2-3-4-5-6-7-8-9-10-11-12-13(17,18)14(19,20)15(21,22)16(23,24)25/h11-12H,2-10H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene?
1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene has a molecular weight of 386.34 g/mol, XLogP of 7.54, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluorohexadec-5-ene is sourced from PubChem (CID 54256796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).