5-ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane

C12H3F21 — CID 54450111

IUPAC5-ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
SMILESC=CC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H3F21/c1-2-3(13,5(16,17)7(20,21)9(24,25)11(28,29)30)4(14,15)6(18,19)8(22,23)10(26,27)12(31,32)33/h2H,1H2
InChIKeyWUIZJUXSZVKEDH-UHFFFAOYSA-N
MW546.11 g/mol
LogP7.45
Rot. Bonds8

About 5-ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane

5-ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane (PubChem CID 54450111) has the molecular formula C12H3F21 and a molecular weight of 546.11 g/mol. Its IUPAC name is 5-ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane.

Molecular Properties

Compound Name5-ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
PubChem CID54450111
Molecular FormulaC12H3F21
Molecular Weight546.11 g/mol
Exact Mass545.99
IUPAC Name5-ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
SMILESC=CC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H3F21/c1-2-3(13,5(16,17)7(20,21)9(24,25)11(28,29)30)4(14,15)6(18,19)8(22,23)10(26,27)12(31,32)33/h2H,1H2
InChIKeyWUIZJUXSZVKEDH-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.11
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane?
The IUPAC name of 5-ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane (CID 54450111) is 5-ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane.
What is the SMILES notation for 5-ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane?
The canonical SMILES for 5-ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane is C=CC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5-ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane?
The InChIKey is WUIZJUXSZVKEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F21/c1-2-3(13,5(16,17)7(20,21)9(24,25)11(28,29)30)4(14,15)6(18,19)8(22,23)10(26,27)12(31,32)33/h2H,1H2.
What are the key properties of 5-ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane?
5-ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane has a molecular weight of 546.11 g/mol, XLogP of 7.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane is sourced from PubChem (CID 54450111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).