(2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine

C19H19F2N — CID 89378353

IUPAC(2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine
SMILESC=C/C(F)=C\C=C(C)\C=C/C=C\C(=N\C)c1ccc(F)cc1
InChIInChI=1S/C19H19F2N/c1-4-17(20)12-9-15(2)7-5-6-8-19(22-3)16-10-13-18(21)14-11-16/h4-14H,1H2,2-3H3/b7-5-,8-6-,15-9+,17-12+,22-19-
InChIKeyMKKFJLMJYRHUJW-WRVSGPIQSA-N
MW299.36 g/mol
LogP5.34
Rot. Bonds6

About (2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine

(2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine (PubChem CID 89378353) has the molecular formula C19H19F2N and a molecular weight of 299.36 g/mol. Its IUPAC name is (2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine.

Molecular Properties

Compound Name(2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine
PubChem CID89378353
Molecular FormulaC19H19F2N
Molecular Weight299.36 g/mol
Exact Mass299.15
IUPAC Name(2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine
SMILESC=C/C(F)=C\C=C(C)\C=C/C=C\C(=N\C)c1ccc(F)cc1
InChIInChI=1S/C19H19F2N/c1-4-17(20)12-9-15(2)7-5-6-8-19(22-3)16-10-13-18(21)14-11-16/h4-14H,1H2,2-3H3/b7-5-,8-6-,15-9+,17-12+,22-19-
InChIKeyMKKFJLMJYRHUJW-WRVSGPIQSA-N
XLogP5.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.36
LogP ≤ 55.34
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 (2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine?
The IUPAC name of (2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine (CID 89378353) is (2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine.
What is the SMILES notation for (2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine?
The canonical SMILES for (2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine is C=C/C(F)=C\C=C(C)\C=C/C=C\C(=N\C)c1ccc(F)cc1.
What is the InChIKey of (2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine?
The InChIKey is MKKFJLMJYRHUJW-WRVSGPIQSA-N. The full InChI is InChI=1S/C19H19F2N/c1-4-17(20)12-9-15(2)7-5-6-8-19(22-3)16-10-13-18(21)14-11-16/h4-14H,1H2,2-3H3/b7-5-,8-6-,15-9+,17-12+,22-19-.
What are the key properties of (2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine?
(2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine has a molecular weight of 299.36 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine is sourced from PubChem (CID 89378353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).