(E)-N,3-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine

C22H16F3NS — CID 25262148

IUPAC(E)-N,3-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine
SMILESFC(F)(F)c1cccc(S/C(=C/C=N/c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H16F3NS/c23-22(24,25)18-10-7-13-20(16-18)27-21(17-8-3-1-4-9-17)14-15-26-19-11-5-2-6-12-19/h1-16H/b21-14+,26-15+
InChIKeyYKWRXMZWDYVEIJ-IAXUOCBKSA-N
MW383.44 g/mol
LogP7.24
Rot. Bonds5

About (E)-N,3-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine

(E)-N,3-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine (PubChem CID 25262148) has the molecular formula C22H16F3NS and a molecular weight of 383.44 g/mol. Its IUPAC name is (E)-N,3-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N,3-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine
PubChem CID25262148
Molecular FormulaC22H16F3NS
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC Name(E)-N,3-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine
SMILESFC(F)(F)c1cccc(S/C(=C/C=N/c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H16F3NS/c23-22(24,25)18-10-7-13-20(16-18)27-21(17-8-3-1-4-9-17)14-15-26-19-11-5-2-6-12-19/h1-16H/b21-14+,26-15+
InChIKeyYKWRXMZWDYVEIJ-IAXUOCBKSA-N
XLogP7.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 57.24
H-Bond Donors ≤ 50
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 (E)-N,3-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine?
The IUPAC name of (E)-N,3-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine (CID 25262148) is (E)-N,3-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine.
What is the SMILES notation for (E)-N,3-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine?
The canonical SMILES for (E)-N,3-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine is FC(F)(F)c1cccc(S/C(=C/C=N/c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (E)-N,3-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine?
The InChIKey is YKWRXMZWDYVEIJ-IAXUOCBKSA-N. The full InChI is InChI=1S/C22H16F3NS/c23-22(24,25)18-10-7-13-20(16-18)27-21(17-8-3-1-4-9-17)14-15-26-19-11-5-2-6-12-19/h1-16H/b21-14+,26-15+.
What are the key properties of (E)-N,3-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine?
(E)-N,3-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine has a molecular weight of 383.44 g/mol, XLogP of 7.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-diphenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine is sourced from PubChem (CID 25262148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).