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

C20H16F3NO3 — CID 23343860

IUPACN-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
SMILESFC(F)(F)Oc1ccc(COc2ccc(/C=N/Cc3ccco3)cc2)cc1
InChIInChI=1S/C20H16F3NO3/c21-20(22,23)27-18-9-5-16(6-10-18)14-26-17-7-3-15(4-8-17)12-24-13-19-2-1-11-25-19/h1-12H,13-14H2/b24-12+
InChIKeyYJRSTSHBINFQQX-WYMPLXKRSA-N
MW375.35 g/mol
LogP5.38
Rot. Bonds7

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

N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine (PubChem CID 23343860) has the molecular formula C20H16F3NO3 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
PubChem CID23343860
Molecular FormulaC20H16F3NO3
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC NameN-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
SMILESFC(F)(F)Oc1ccc(COc2ccc(/C=N/Cc3ccco3)cc2)cc1
InChIInChI=1S/C20H16F3NO3/c21-20(22,23)27-18-9-5-16(6-10-18)14-26-17-7-3-15(4-8-17)12-24-13-19-2-1-11-25-19/h1-12H,13-14H2/b24-12+
InChIKeyYJRSTSHBINFQQX-WYMPLXKRSA-N
XLogP5.38
TPSA43.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.35
LogP ≤ 55.38
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-(trifluoromethoxy)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-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine (CID 23343860) is N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine is FC(F)(F)Oc1ccc(COc2ccc(/C=N/Cc3ccco3)cc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine?
The InChIKey is YJRSTSHBINFQQX-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H16F3NO3/c21-20(22,23)27-18-9-5-16(6-10-18)14-26-17-7-3-15(4-8-17)12-24-13-19-2-1-11-25-19/h1-12H,13-14H2/b24-12+.
What are the key properties of N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine?
N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine has a molecular weight of 375.35 g/mol, XLogP of 5.38, 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-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine is sourced from PubChem (CID 23343860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).