11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane

C23H12F34O — CID 10328523

IUPAC11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane
SMILESC=COC(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C23H12F34O/c1-2-58-7(3-5-8(24,25)10(28,29)12(32,33)14(36,37)16(40,41)18(44,45)20(48,49)22(52,53)54)4-6-9(26,27)11(30,31)13(34,35)15(38,39)17(42,43)19(46,47)21(50,51)23(55,56)57/h2,7H,1,3-6H2
InChIKeyDHZXEDAVAYQQAS-UHFFFAOYSA-N
MW950.28 g/mol
LogP13.09
Rot. Bonds20

About 11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane

11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane (PubChem CID 10328523) has the molecular formula C23H12F34O and a molecular weight of 950.28 g/mol. Its IUPAC name is 11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane.

Molecular Properties

Compound Name11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane
PubChem CID10328523
Molecular FormulaC23H12F34O
Molecular Weight950.28 g/mol
Exact Mass950.03
IUPAC Name11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane
SMILESC=COC(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C23H12F34O/c1-2-58-7(3-5-8(24,25)10(28,29)12(32,33)14(36,37)16(40,41)18(44,45)20(48,49)22(52,53)54)4-6-9(26,27)11(30,31)13(34,35)15(38,39)17(42,43)19(46,47)21(50,51)23(55,56)57/h2,7H,1,3-6H2
InChIKeyDHZXEDAVAYQQAS-UHFFFAOYSA-N
XLogP13.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.28
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane?
The IUPAC name of 11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane (CID 10328523) is 11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane.
What is the SMILES notation for 11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane?
The canonical SMILES for 11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane is C=COC(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane?
The InChIKey is DHZXEDAVAYQQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12F34O/c1-2-58-7(3-5-8(24,25)10(28,29)12(32,33)14(36,37)16(40,41)18(44,45)20(48,49)22(52,53)54)4-6-9(26,27)11(30,31)13(34,35)15(38,39)17(42,43)19(46,47)21(50,51)23(55,56)57/h2,7H,1,3-6H2.
What are the key properties of 11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane?
11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane has a molecular weight of 950.28 g/mol, XLogP of 13.09, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane is sourced from PubChem (CID 10328523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).