1-(furan-2-yl)-N-[2-(trifluoromethyl)phenyl]methanimine

C12H8F3NO — CID 12032358

IUPAC1-(furan-2-yl)-N-[2-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccccc1/N=C/c1ccco1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)10-5-1-2-6-11(10)16-8-9-4-3-7-17-9/h1-8H/b16-8+
InChIKeyXNWPGXYNMYNLKP-LZYBPNLTSA-N
MW239.20 g/mol
LogP4.05
Rot. Bonds2

About 1-(furan-2-yl)-N-[2-(trifluoromethyl)phenyl]methanimine

1-(furan-2-yl)-N-[2-(trifluoromethyl)phenyl]methanimine (PubChem CID 12032358) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(trifluoromethyl)phenyl]methanimine
PubChem CID12032358
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name1-(furan-2-yl)-N-[2-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccccc1/N=C/c1ccco1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)10-5-1-2-6-11(10)16-8-9-4-3-7-17-9/h1-8H/b16-8+
InChIKeyXNWPGXYNMYNLKP-LZYBPNLTSA-N
XLogP4.05
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 54.05
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 1-(furan-2-yl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(trifluoromethyl)phenyl]methanimine (CID 12032358) is 1-(furan-2-yl)-N-[2-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccccc1/N=C/c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The InChIKey is XNWPGXYNMYNLKP-LZYBPNLTSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-12(14,15)10-5-1-2-6-11(10)16-8-9-4-3-7-17-9/h1-8H/b16-8+.
What are the key properties of 1-(furan-2-yl)-N-[2-(trifluoromethyl)phenyl]methanimine?
1-(furan-2-yl)-N-[2-(trifluoromethyl)phenyl]methanimine has a molecular weight of 239.20 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 12032358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).