(1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine

C23H20F6N2 — CID 126636607

IUPAC(1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine
SMILESC=C/C=C(\C=C/NC)NC(=C)c1cc(C(F)(F)F)ccc1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C23H20F6N2/c1-4-5-18(10-11-30-3)31-14(2)19-13-17(23(27,28)29)8-6-15(19)12-16-7-9-20(24)22(26)21(16)25/h4-11,13,30-31H,1-2,12H2,3H3/b11-10-,18-5+
InChIKeyUMRZIUDZMSIRIB-DDYQODIZSA-N
MW438.42 g/mol
LogP6.08
Rot. Bonds8

About (1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine

(1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine (PubChem CID 126636607) has the molecular formula C23H20F6N2 and a molecular weight of 438.42 g/mol. Its IUPAC name is (1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine.

Molecular Properties

Compound Name(1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine
PubChem CID126636607
Molecular FormulaC23H20F6N2
Molecular Weight438.42 g/mol
Exact Mass438.15
IUPAC Name(1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine
SMILESC=C/C=C(\C=C/NC)NC(=C)c1cc(C(F)(F)F)ccc1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C23H20F6N2/c1-4-5-18(10-11-30-3)31-14(2)19-13-17(23(27,28)29)8-6-15(19)12-16-7-9-20(24)22(26)21(16)25/h4-11,13,30-31H,1-2,12H2,3H3/b11-10-,18-5+
InChIKeyUMRZIUDZMSIRIB-DDYQODIZSA-N
XLogP6.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.42
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine?
The IUPAC name of (1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine (CID 126636607) is (1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine.
What is the SMILES notation for (1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine?
The canonical SMILES for (1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine is C=C/C=C(\C=C/NC)NC(=C)c1cc(C(F)(F)F)ccc1Cc1ccc(F)c(F)c1F.
What is the InChIKey of (1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine?
The InChIKey is UMRZIUDZMSIRIB-DDYQODIZSA-N. The full InChI is InChI=1S/C23H20F6N2/c1-4-5-18(10-11-30-3)31-14(2)19-13-17(23(27,28)29)8-6-15(19)12-16-7-9-20(24)22(26)21(16)25/h4-11,13,30-31H,1-2,12H2,3H3/b11-10-,18-5+.
What are the key properties of (1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine?
(1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine has a molecular weight of 438.42 g/mol, XLogP of 6.08, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine is sourced from PubChem (CID 126636607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).