(E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine

C17H3F30N — CID 134932491

IUPAC(E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine
SMILES[H]/N=C(\C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(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/C17H3F30N/c18-4(19,6(22,23)8(26,27)10(30,31)12(34,35)14(38,39)16(42,43)44)2-1-3(48)5(20,21)7(24,25)9(28,29)11(32,33)13(36,37)15(40,41)17(45,46)47/h1-2,48H/b2-1+,48-3+
InChIKeyHRIKFVFMEDHJFM-AGALGMNNSA-N
MW791.16 g/mol
LogP10.31
Rot. Bonds13

About (E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine

(E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine (PubChem CID 134932491) has the molecular formula C17H3F30N and a molecular weight of 791.16 g/mol. Its IUPAC name is (E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine.

Molecular Properties

Compound Name(E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine
PubChem CID134932491
Molecular FormulaC17H3F30N
Molecular Weight791.16 g/mol
Exact Mass790.98
IUPAC Name(E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine
SMILES[H]/N=C(\C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(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/C17H3F30N/c18-4(19,6(22,23)8(26,27)10(30,31)12(34,35)14(38,39)16(42,43)44)2-1-3(48)5(20,21)7(24,25)9(28,29)11(32,33)13(36,37)15(40,41)17(45,46)47/h1-2,48H/b2-1+,48-3+
InChIKeyHRIKFVFMEDHJFM-AGALGMNNSA-N
XLogP10.31
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.16
LogP ≤ 510.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine?
The IUPAC name of (E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine (CID 134932491) is (E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine.
What is the SMILES notation for (E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine?
The canonical SMILES for (E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine is [H]/N=C(\C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(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 (E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine?
The InChIKey is HRIKFVFMEDHJFM-AGALGMNNSA-N. The full InChI is InChI=1S/C17H3F30N/c18-4(19,6(22,23)8(26,27)10(30,31)12(34,35)14(38,39)16(42,43)44)2-1-3(48)5(20,21)7(24,25)9(28,29)11(32,33)13(36,37)15(40,41)17(45,46)47/h1-2,48H/b2-1+,48-3+.
What are the key properties of (E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine?
(E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine has a molecular weight of 791.16 g/mol, XLogP of 10.31, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadec-9-en-8-imine is sourced from PubChem (CID 134932491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).