N-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine

C20H16FNS — CID 22031851

IUPACN-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine
SMILESCSc1cc(F)cc(N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H16FNS/c1-23-19-13-17(21)12-18(14-19)22-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyZIEXAXRTSMDQFN-UHFFFAOYSA-N
MW321.42 g/mol
LogP5.72
Rot. Bonds4

About N-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine

N-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine (PubChem CID 22031851) has the molecular formula C20H16FNS and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine
PubChem CID22031851
Molecular FormulaC20H16FNS
Molecular Weight321.42 g/mol
Exact Mass321.10
IUPAC NameN-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine
SMILESCSc1cc(F)cc(N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H16FNS/c1-23-19-13-17(21)12-18(14-19)22-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyZIEXAXRTSMDQFN-UHFFFAOYSA-N
XLogP5.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.72
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 N-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine?
The IUPAC name of N-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine (CID 22031851) is N-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine is CSc1cc(F)cc(N=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine?
The InChIKey is ZIEXAXRTSMDQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNS/c1-23-19-13-17(21)12-18(14-19)22-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3.
What are the key properties of N-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine?
N-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine has a molecular weight of 321.42 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine is sourced from PubChem (CID 22031851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).