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

C17H7F19O — CID 171042002

IUPAC1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene
SMILESC=Cc1ccc(OC(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/C17H7F19O/c1-2-7-3-5-8(6-4-7)37-17(35,36)15(30,31)13(26,27)11(22,23)9(18,19)10(20,21)12(24,25)14(28,29)16(32,33)34/h2-6H,1H2
InChIKeyYNKONPKDOAQREQ-UHFFFAOYSA-N
MW588.20 g/mol
LogP8.31
Rot. Bonds10

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

1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene (PubChem CID 171042002) has the molecular formula C17H7F19O and a molecular weight of 588.20 g/mol. Its IUPAC name is 1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene
PubChem CID171042002
Molecular FormulaC17H7F19O
Molecular Weight588.20 g/mol
Exact Mass588.02
IUPAC Name1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene
SMILESC=Cc1ccc(OC(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/C17H7F19O/c1-2-7-3-5-8(6-4-7)37-17(35,36)15(30,31)13(26,27)11(22,23)9(18,19)10(20,21)12(24,25)14(28,29)16(32,33)34/h2-6H,1H2
InChIKeyYNKONPKDOAQREQ-UHFFFAOYSA-N
XLogP8.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.20
LogP ≤ 58.31
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-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene?
The IUPAC name of 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) is 1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene.
What is the SMILES notation for 1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene?
The canonical SMILES for 1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene is C=Cc1ccc(OC(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-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene?
The InChIKey is YNKONPKDOAQREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7F19O/c1-2-7-3-5-8(6-4-7)37-17(35,36)15(30,31)13(26,27)11(22,23)9(18,19)10(20,21)12(24,25)14(28,29)16(32,33)34/h2-6H,1H2.
What are the key properties of 1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene?
1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene has a molecular weight of 588.20 g/mol, XLogP of 8.31, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene is sourced from PubChem (CID 171042002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).