1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene

C14H11F9 — CID 155899402

IUPAC1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene
SMILESC=Cc1ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C14H11F9/c1-2-9-3-5-10(6-4-9)7-8-11(15,16)12(17,18)13(19,20)14(21,22)23/h2-6H,1,7-8H2
InChIKeyOBZAGLXUBQUHLF-UHFFFAOYSA-N
MW350.22 g/mol
LogP5.73
Rot. Bonds6

About 1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene

1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene (PubChem CID 155899402) has the molecular formula C14H11F9 and a molecular weight of 350.22 g/mol. Its IUPAC name is 1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene
PubChem CID155899402
Molecular FormulaC14H11F9
Molecular Weight350.22 g/mol
Exact Mass350.07
IUPAC Name1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene
SMILESC=Cc1ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C14H11F9/c1-2-9-3-5-10(6-4-9)7-8-11(15,16)12(17,18)13(19,20)14(21,22)23/h2-6H,1,7-8H2
InChIKeyOBZAGLXUBQUHLF-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.22
LogP ≤ 55.73
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

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
1,2,3,4,5,6-hexakis[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]benzene
CID 162538578
1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-4-methylbenzene
CID 10506558
(4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium
CID 102100267
tert-butyl 4-(4-ethenylphenyl)-2-methyl-2-(trifluoromethyl)butanoate
CID 20710305
1-ethenyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)benzene
CID 100997120
(6-chloro-3,3,4,4,5,5,6,6-octafluorohexyl)benzene
CID 15485608
1-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-henicosafluorotetradecyl)-4-iodobenzene
CID 162538584
(4-ethenylphenyl)methylphosphanium tetrafluoroborate
CID 174226333
1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene
CID 171042002
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene?
The IUPAC name of 1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene (CID 155899402) is 1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene.
What is the SMILES notation for 1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene?
The canonical SMILES for 1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene is C=Cc1ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene?
The InChIKey is OBZAGLXUBQUHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F9/c1-2-9-3-5-10(6-4-9)7-8-11(15,16)12(17,18)13(19,20)14(21,22)23/h2-6H,1,7-8H2.
What are the key properties of 1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene?
1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene has a molecular weight of 350.22 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene is sourced from PubChem (CID 155899402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).