1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene

C18H9F19 — CID 134294875

IUPAC1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene
SMILESC=Cc1ccc(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C18H9F19/c1-2-8-3-5-9(6-4-8)7-10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)37/h2-6H,1,7H2
InChIKeyFMZAGCPKCSXJKX-UHFFFAOYSA-N
MW586.23 g/mol
LogP8.52
Rot. Bonds10

About 1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene

1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene (PubChem CID 134294875) has the molecular formula C18H9F19 and a molecular weight of 586.23 g/mol. Its IUPAC name is 1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene
PubChem CID134294875
Molecular FormulaC18H9F19
Molecular Weight586.23 g/mol
Exact Mass586.04
IUPAC Name1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene
SMILESC=Cc1ccc(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C18H9F19/c1-2-8-3-5-9(6-4-8)7-10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)37/h2-6H,1,7H2
InChIKeyFMZAGCPKCSXJKX-UHFFFAOYSA-N
XLogP8.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.23
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 171042002
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CID 102100267
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CID 20738932
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
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CID 154294288
1-(4-ethenylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-ol
CID 87974106
1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene
CID 18928984
(4-ethenylphenyl)methylazanium
CID 86307073
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridec-1-ene
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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene?
The IUPAC name of 1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene (CID 134294875) is 1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene.
What is the SMILES notation for 1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene?
The canonical SMILES for 1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene is C=Cc1ccc(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene?
The InChIKey is FMZAGCPKCSXJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F19/c1-2-8-3-5-9(6-4-8)7-10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)37/h2-6H,1,7H2.
What are the key properties of 1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene?
1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene has a molecular weight of 586.23 g/mol, XLogP of 8.52, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl)benzene is sourced from PubChem (CID 134294875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).