5-ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane

C12H15F9 — CID 19760605

IUPAC5-ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane
SMILESC=CC(CCCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F9/c1-3-5-6-7-8(4-2)9(13,14)10(15,16)11(17,18)12(19,20)21/h4,8H,2-3,5-7H2,1H3
InChIKeyUYQDOHTUVCBPIZ-UHFFFAOYSA-N
MW330.23 g/mol
LogP5.84
Rot. Bonds8

About 5-ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane

5-ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane (PubChem CID 19760605) has the molecular formula C12H15F9 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane.

Molecular Properties

Compound Name5-ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane
PubChem CID19760605
Molecular FormulaC12H15F9
Molecular Weight330.23 g/mol
Exact Mass330.10
IUPAC Name5-ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane
SMILESC=CC(CCCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F9/c1-3-5-6-7-8(4-2)9(13,14)10(15,16)11(17,18)12(19,20)21/h4,8H,2-3,5-7H2,1H3
InChIKeyUYQDOHTUVCBPIZ-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.23
LogP ≤ 55.84
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 5-ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane?
The IUPAC name of 5-ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane (CID 19760605) is 5-ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane.
What is the SMILES notation for 5-ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane?
The canonical SMILES for 5-ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane is C=CC(CCCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5-ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane?
The InChIKey is UYQDOHTUVCBPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F9/c1-3-5-6-7-8(4-2)9(13,14)10(15,16)11(17,18)12(19,20)21/h4,8H,2-3,5-7H2,1H3.
What are the key properties of 5-ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane?
5-ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane has a molecular weight of 330.23 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane is sourced from PubChem (CID 19760605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).