(Z)-2-[1-[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]ethenyliminomethyl]hex-1-en-1-amine

C24H23F5N2 — CID 89134738

IUPAC(Z)-2-[1-[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]ethenyliminomethyl]hex-1-en-1-amine
SMILESC=C(/N=C/C(=C\N)CCCC)c1ccc(-c2cc(F)c(/C=C/C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C24H23F5N2/c1-3-4-5-17(14-30)15-31-16(2)18-6-8-19(9-7-18)20-12-22(25)21(23(26)13-20)10-11-24(27,28)29/h6-15H,2-5,30H2,1H3/b11-10+,17-14-,31-15+
InChIKeyJIPJUCAOTNXWRE-DGFILRMDSA-N
MW434.45 g/mol
LogP7.28
Rot. Bonds8

About (Z)-2-[1-[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]ethenyliminomethyl]hex-1-en-1-amine

(Z)-2-[1-[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]ethenyliminomethyl]hex-1-en-1-amine (PubChem CID 89134738) has the molecular formula C24H23F5N2 and a molecular weight of 434.45 g/mol. Its IUPAC name is (Z)-2-[1-[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]ethenyliminomethyl]hex-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[1-[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]ethenyliminomethyl]hex-1-en-1-amine
PubChem CID89134738
Molecular FormulaC24H23F5N2
Molecular Weight434.45 g/mol
Exact Mass434.18
IUPAC Name(Z)-2-[1-[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]ethenyliminomethyl]hex-1-en-1-amine
SMILESC=C(/N=C/C(=C\N)CCCC)c1ccc(-c2cc(F)c(/C=C/C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C24H23F5N2/c1-3-4-5-17(14-30)15-31-16(2)18-6-8-19(9-7-18)20-12-22(25)21(23(26)13-20)10-11-24(27,28)29/h6-15H,2-5,30H2,1H3/b11-10+,17-14-,31-15+
InChIKeyJIPJUCAOTNXWRE-DGFILRMDSA-N
XLogP7.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.45
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[1-[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]ethenyliminomethyl]hex-1-en-1-amine?
The IUPAC name of (Z)-2-[1-[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]ethenyliminomethyl]hex-1-en-1-amine (CID 89134738) is (Z)-2-[1-[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]ethenyliminomethyl]hex-1-en-1-amine.
What is the SMILES notation for (Z)-2-[1-[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]ethenyliminomethyl]hex-1-en-1-amine?
The canonical SMILES for (Z)-2-[1-[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]ethenyliminomethyl]hex-1-en-1-amine is C=C(/N=C/C(=C\N)CCCC)c1ccc(-c2cc(F)c(/C=C/C(F)(F)F)c(F)c2)cc1.
What is the InChIKey of (Z)-2-[1-[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]ethenyliminomethyl]hex-1-en-1-amine?
The InChIKey is JIPJUCAOTNXWRE-DGFILRMDSA-N. The full InChI is InChI=1S/C24H23F5N2/c1-3-4-5-17(14-30)15-31-16(2)18-6-8-19(9-7-18)20-12-22(25)21(23(26)13-20)10-11-24(27,28)29/h6-15H,2-5,30H2,1H3/b11-10+,17-14-,31-15+.
What are the key properties of (Z)-2-[1-[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]ethenyliminomethyl]hex-1-en-1-amine?
(Z)-2-[1-[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]ethenyliminomethyl]hex-1-en-1-amine has a molecular weight of 434.45 g/mol, XLogP of 7.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[1-[4-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]ethenyliminomethyl]hex-1-en-1-amine is sourced from PubChem (CID 89134738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).