1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene

C17H10F16O — CID 59641467

IUPAC1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene
SMILESC=Cc1cccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1
InChIInChI=1S/C17H10F16O/c1-2-8-4-3-5-9(6-8)34-7-11(20,21)13(24,25)15(28,29)17(32,33)16(30,31)14(26,27)12(22,23)10(18)19/h2-6,10H,1,7H2
InChIKeyNJOHBVYCODUGGK-UHFFFAOYSA-N
MW534.23 g/mol
LogP7.42
Rot. Bonds11

About 1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene

1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene (PubChem CID 59641467) has the molecular formula C17H10F16O and a molecular weight of 534.23 g/mol. Its IUPAC name is 1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene.

Molecular Properties

Compound Name1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene
PubChem CID59641467
Molecular FormulaC17H10F16O
Molecular Weight534.23 g/mol
Exact Mass534.05
IUPAC Name1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene
SMILESC=Cc1cccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1
InChIInChI=1S/C17H10F16O/c1-2-8-4-3-5-9(6-8)34-7-11(20,21)13(24,25)15(28,29)17(32,33)16(30,31)14(26,27)12(22,23)10(18)19/h2-6,10H,1,7H2
InChIKeyNJOHBVYCODUGGK-UHFFFAOYSA-N
XLogP7.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.23
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene?
The IUPAC name of 1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene (CID 59641467) is 1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene.
What is the SMILES notation for 1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene?
The canonical SMILES for 1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene is C=Cc1cccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1.
What is the InChIKey of 1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene?
The InChIKey is NJOHBVYCODUGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F16O/c1-2-8-4-3-5-9(6-8)34-7-11(20,21)13(24,25)15(28,29)17(32,33)16(30,31)14(26,27)12(22,23)10(18)19/h2-6,10H,1,7H2.
What are the key properties of 1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene?
1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene has a molecular weight of 534.23 g/mol, XLogP of 7.42, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)benzene is sourced from PubChem (CID 59641467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).