(2E,6E,8Z)-7-(1,1-difluoroethyl)-N-ethyl-1-fluoro-2,10-dimethylundeca-2,6,8,10-tetraen-4-imine

C17H24F3N — CID 166651590

IUPAC(2E,6E,8Z)-7-(1,1-difluoroethyl)-N-ethyl-1-fluoro-2,10-dimethylundeca-2,6,8,10-tetraen-4-imine
SMILESC=C(C)/C=C\C(=C/CC(/C=C(\C)CF)=N/CC)C(C)(F)F
InChIInChI=1S/C17H24F3N/c1-6-21-16(11-14(4)12-18)10-9-15(17(5,19)20)8-7-13(2)3/h7-9,11H,2,6,10,12H2,1,3-5H3/b8-7-,14-11+,15-9+,21-16-
InChIKeyHMCPPJOOUIZZOS-QJHLHFEUSA-N
MW299.38 g/mol
LogP5.47
Rot. Bonds8

About (2E,6E,8Z)-7-(1,1-difluoroethyl)-N-ethyl-1-fluoro-2,10-dimethylundeca-2,6,8,10-tetraen-4-imine

(2E,6E,8Z)-7-(1,1-difluoroethyl)-N-ethyl-1-fluoro-2,10-dimethylundeca-2,6,8,10-tetraen-4-imine (PubChem CID 166651590) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is (2E,6E,8Z)-7-(1,1-difluoroethyl)-N-ethyl-1-fluoro-2,10-dimethylundeca-2,6,8,10-tetraen-4-imine.

Molecular Properties

Compound Name(2E,6E,8Z)-7-(1,1-difluoroethyl)-N-ethyl-1-fluoro-2,10-dimethylundeca-2,6,8,10-tetraen-4-imine
PubChem CID166651590
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name(2E,6E,8Z)-7-(1,1-difluoroethyl)-N-ethyl-1-fluoro-2,10-dimethylundeca-2,6,8,10-tetraen-4-imine
SMILESC=C(C)/C=C\C(=C/CC(/C=C(\C)CF)=N/CC)C(C)(F)F
InChIInChI=1S/C17H24F3N/c1-6-21-16(11-14(4)12-18)10-9-15(17(5,19)20)8-7-13(2)3/h7-9,11H,2,6,10,12H2,1,3-5H3/b8-7-,14-11+,15-9+,21-16-
InChIKeyHMCPPJOOUIZZOS-QJHLHFEUSA-N
XLogP5.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (2E,6E,8Z)-7-(1,1-difluoroethyl)-N-ethyl-1-fluoro-2,10-dimethylundeca-2,6,8,10-tetraen-4-imine?
The IUPAC name of (2E,6E,8Z)-7-(1,1-difluoroethyl)-N-ethyl-1-fluoro-2,10-dimethylundeca-2,6,8,10-tetraen-4-imine (CID 166651590) is (2E,6E,8Z)-7-(1,1-difluoroethyl)-N-ethyl-1-fluoro-2,10-dimethylundeca-2,6,8,10-tetraen-4-imine.
What is the SMILES notation for (2E,6E,8Z)-7-(1,1-difluoroethyl)-N-ethyl-1-fluoro-2,10-dimethylundeca-2,6,8,10-tetraen-4-imine?
The canonical SMILES for (2E,6E,8Z)-7-(1,1-difluoroethyl)-N-ethyl-1-fluoro-2,10-dimethylundeca-2,6,8,10-tetraen-4-imine is C=C(C)/C=C\C(=C/CC(/C=C(\C)CF)=N/CC)C(C)(F)F.
What is the InChIKey of (2E,6E,8Z)-7-(1,1-difluoroethyl)-N-ethyl-1-fluoro-2,10-dimethylundeca-2,6,8,10-tetraen-4-imine?
The InChIKey is HMCPPJOOUIZZOS-QJHLHFEUSA-N. The full InChI is InChI=1S/C17H24F3N/c1-6-21-16(11-14(4)12-18)10-9-15(17(5,19)20)8-7-13(2)3/h7-9,11H,2,6,10,12H2,1,3-5H3/b8-7-,14-11+,15-9+,21-16-.
What are the key properties of (2E,6E,8Z)-7-(1,1-difluoroethyl)-N-ethyl-1-fluoro-2,10-dimethylundeca-2,6,8,10-tetraen-4-imine?
(2E,6E,8Z)-7-(1,1-difluoroethyl)-N-ethyl-1-fluoro-2,10-dimethylundeca-2,6,8,10-tetraen-4-imine has a molecular weight of 299.38 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,8Z)-7-(1,1-difluoroethyl)-N-ethyl-1-fluoro-2,10-dimethylundeca-2,6,8,10-tetraen-4-imine is sourced from PubChem (CID 166651590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).