1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine

C21H14F3NS — CID 90738523

IUPAC1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
SMILESFc1ccc(SC=C/C(=N\c2cccc(F)c2)c2ccccc2F)cc1
InChIInChI=1S/C21H14F3NS/c22-15-8-10-18(11-9-15)26-13-12-21(19-6-1-2-7-20(19)24)25-17-5-3-4-16(23)14-17/h1-14H/b13-12?,25-21+
InChIKeyALSSMLFTEUTUKG-RZLCYGJZSA-N
MW369.41 g/mol
LogP6.53
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine

1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine (PubChem CID 90738523) has the molecular formula C21H14F3NS and a molecular weight of 369.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
PubChem CID90738523
Molecular FormulaC21H14F3NS
Molecular Weight369.41 g/mol
Exact Mass369.08
IUPAC Name1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
SMILESFc1ccc(SC=C/C(=N\c2cccc(F)c2)c2ccccc2F)cc1
InChIInChI=1S/C21H14F3NS/c22-15-8-10-18(11-9-15)26-13-12-21(19-6-1-2-7-20(19)24)25-17-5-3-4-16(23)14-17/h1-14H/b13-12?,25-21+
InChIKeyALSSMLFTEUTUKG-RZLCYGJZSA-N
XLogP6.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.41
LogP ≤ 56.53
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 1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine?
The IUPAC name of 1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine (CID 90738523) is 1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine is Fc1ccc(SC=C/C(=N\c2cccc(F)c2)c2ccccc2F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine?
The InChIKey is ALSSMLFTEUTUKG-RZLCYGJZSA-N. The full InChI is InChI=1S/C21H14F3NS/c22-15-8-10-18(11-9-15)26-13-12-21(19-6-1-2-7-20(19)24)25-17-5-3-4-16(23)14-17/h1-14H/b13-12?,25-21+.
What are the key properties of 1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine?
1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine has a molecular weight of 369.41 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(3-fluorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine is sourced from PubChem (CID 90738523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).