N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine

C20H16F3NO2S — CID 23343874

IUPACN-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine
SMILESFC(F)(F)Sc1ccc(COc2ccc(/C=N/Cc3ccco3)cc2)cc1
InChIInChI=1S/C20H16F3NO2S/c21-20(22,23)27-19-9-5-16(6-10-19)14-26-17-7-3-15(4-8-17)12-24-13-18-2-1-11-25-18/h1-12H,13-14H2/b24-12+
InChIKeyNXTRUVVZNKWEJA-WYMPLXKRSA-N
MW391.41 g/mol
LogP6.09
Rot. Bonds7

About N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine

N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine (PubChem CID 23343874) has the molecular formula C20H16F3NO2S and a molecular weight of 391.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine
PubChem CID23343874
Molecular FormulaC20H16F3NO2S
Molecular Weight391.41 g/mol
Exact Mass391.09
IUPAC NameN-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine
SMILESFC(F)(F)Sc1ccc(COc2ccc(/C=N/Cc3ccco3)cc2)cc1
InChIInChI=1S/C20H16F3NO2S/c21-20(22,23)27-19-9-5-16(6-10-19)14-26-17-7-3-15(4-8-17)12-24-13-18-2-1-11-25-18/h1-12H,13-14H2/b24-12+
InChIKeyNXTRUVVZNKWEJA-WYMPLXKRSA-N
XLogP6.09
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.41
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine 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 N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine (CID 23343874) is N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine is FC(F)(F)Sc1ccc(COc2ccc(/C=N/Cc3ccco3)cc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine?
The InChIKey is NXTRUVVZNKWEJA-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H16F3NO2S/c21-20(22,23)27-19-9-5-16(6-10-19)14-26-17-7-3-15(4-8-17)12-24-13-18-2-1-11-25-18/h1-12H,13-14H2/b24-12+.
What are the key properties of N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine?
N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine has a molecular weight of 391.41 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]methanimine is sourced from PubChem (CID 23343874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).