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

C20H16F3NO2 — CID 23343773

IUPACN-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine
SMILESFC(F)(F)c1ccc(COc2ccc(/C=N/Cc3ccco3)cc2)cc1
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)17-7-3-16(4-8-17)14-26-18-9-5-15(6-10-18)12-24-13-19-2-1-11-25-19/h1-12H,13-14H2/b24-12+
InChIKeyUPLCAQJPEPWWSK-WYMPLXKRSA-N
MW359.35 g/mol
LogP5.50
Rot. Bonds6

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

N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine (PubChem CID 23343773) has the molecular formula C20H16F3NO2 and a molecular weight of 359.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine
PubChem CID23343773
Molecular FormulaC20H16F3NO2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC NameN-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine
SMILESFC(F)(F)c1ccc(COc2ccc(/C=N/Cc3ccco3)cc2)cc1
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)17-7-3-16(4-8-17)14-26-18-9-5-15(6-10-18)12-24-13-19-2-1-11-25-19/h1-12H,13-14H2/b24-12+
InChIKeyUPLCAQJPEPWWSK-WYMPLXKRSA-N
XLogP5.50
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine (CID 23343773) is N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine is FC(F)(F)c1ccc(COc2ccc(/C=N/Cc3ccco3)cc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine?
The InChIKey is UPLCAQJPEPWWSK-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H16F3NO2/c21-20(22,23)17-7-3-16(4-8-17)14-26-18-9-5-15(6-10-18)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-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine?
N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine has a molecular weight of 359.35 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanimine is sourced from PubChem (CID 23343773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).