3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine

C22H17F2NS — CID 68859936

IUPAC3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine
SMILESCc1ccc(/N=C/C=C(Sc2ccc(F)cc2)c2ccccc2F)cc1
InChIInChI=1S/C22H17F2NS/c1-16-6-10-18(11-7-16)25-15-14-22(20-4-2-3-5-21(20)24)26-19-12-8-17(23)9-13-19/h2-15H,1H3/b22-14?,25-15+
InChIKeyRQLYZVMNQRQCTK-AVYJOBCZSA-N
MW365.45 g/mol
LogP6.81
Rot. Bonds5

About 3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine

3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine (PubChem CID 68859936) has the molecular formula C22H17F2NS and a molecular weight of 365.45 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine
PubChem CID68859936
Molecular FormulaC22H17F2NS
Molecular Weight365.45 g/mol
Exact Mass365.10
IUPAC Name3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine
SMILESCc1ccc(/N=C/C=C(Sc2ccc(F)cc2)c2ccccc2F)cc1
InChIInChI=1S/C22H17F2NS/c1-16-6-10-18(11-7-16)25-15-14-22(20-4-2-3-5-21(20)24)26-19-12-8-17(23)9-13-19/h2-15H,1H3/b22-14?,25-15+
InChIKeyRQLYZVMNQRQCTK-AVYJOBCZSA-N
XLogP6.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 56.81
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 3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine?
The IUPAC name of 3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine (CID 68859936) is 3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine?
The canonical SMILES for 3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine is Cc1ccc(/N=C/C=C(Sc2ccc(F)cc2)c2ccccc2F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine?
The InChIKey is RQLYZVMNQRQCTK-AVYJOBCZSA-N. The full InChI is InChI=1S/C22H17F2NS/c1-16-6-10-18(11-7-16)25-15-14-22(20-4-2-3-5-21(20)24)26-19-12-8-17(23)9-13-19/h2-15H,1H3/b22-14?,25-15+.
What are the key properties of 3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine?
3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine has a molecular weight of 365.45 g/mol, XLogP of 6.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine is sourced from PubChem (CID 68859936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).