(3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine

C20H32FNO — CID 155441777

IUPAC(3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine
SMILESCCC(=C/C(C)/C=C(\F)C(C)/C=C\C(C)=N\C)/C=C(\CC)OC
InChIInChI=1S/C20H32FNO/c1-8-18(14-19(9-2)23-7)12-15(3)13-20(21)16(4)10-11-17(5)22-6/h10-16H,8-9H2,1-7H3/b11-10-,18-12-,19-14+,20-13-,22-17+
InChIKeyBFLUYLAZXKCHJS-BVDQHYSWSA-N
MW321.48 g/mol
LogP6.04
Rot. Bonds9

About (3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine

(3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine (PubChem CID 155441777) has the molecular formula C20H32FNO and a molecular weight of 321.48 g/mol. Its IUPAC name is (3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine.

Molecular Properties

Compound Name(3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine
PubChem CID155441777
Molecular FormulaC20H32FNO
Molecular Weight321.48 g/mol
Exact Mass321.25
IUPAC Name(3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine
SMILESCCC(=C/C(C)/C=C(\F)C(C)/C=C\C(C)=N\C)/C=C(\CC)OC
InChIInChI=1S/C20H32FNO/c1-8-18(14-19(9-2)23-7)12-15(3)13-20(21)16(4)10-11-17(5)22-6/h10-16H,8-9H2,1-7H3/b11-10-,18-12-,19-14+,20-13-,22-17+
InChIKeyBFLUYLAZXKCHJS-BVDQHYSWSA-N
XLogP6.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.48
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine?
The IUPAC name of (3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine (CID 155441777) is (3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine.
What is the SMILES notation for (3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine?
The canonical SMILES for (3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine is CCC(=C/C(C)/C=C(\F)C(C)/C=C\C(C)=N\C)/C=C(\CC)OC.
What is the InChIKey of (3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine?
The InChIKey is BFLUYLAZXKCHJS-BVDQHYSWSA-N. The full InChI is InChI=1S/C20H32FNO/c1-8-18(14-19(9-2)23-7)12-15(3)13-20(21)16(4)10-11-17(5)22-6/h10-16H,8-9H2,1-7H3/b11-10-,18-12-,19-14+,20-13-,22-17+.
What are the key properties of (3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine?
(3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine has a molecular weight of 321.48 g/mol, XLogP of 6.04, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine is sourced from PubChem (CID 155441777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).