furan-2-yl-[4-(trifluoromethyl)phenyl]methanimine

C12H8F3NO — CID 166442110

IUPACfuran-2-yl-[4-(trifluoromethyl)phenyl]methanimine
SMILES[H]/N=C(/c1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)9-5-3-8(4-6-9)11(16)10-2-1-7-17-10/h1-7,16H/b16-11-
InChIKeyNUIIKWRERAROSH-WJDWOHSUSA-N
MW239.20 g/mol
LogP3.71
Rot. Bonds2

About furan-2-yl-[4-(trifluoromethyl)phenyl]methanimine

furan-2-yl-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 166442110) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is furan-2-yl-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Namefuran-2-yl-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID166442110
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Namefuran-2-yl-[4-(trifluoromethyl)phenyl]methanimine
SMILES[H]/N=C(/c1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)9-5-3-8(4-6-9)11(16)10-2-1-7-17-10/h1-7,16H/b16-11-
InChIKeyNUIIKWRERAROSH-WJDWOHSUSA-N
XLogP3.71
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.71
H-Bond Donors ≤ 51
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 furan-2-yl-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of furan-2-yl-[4-(trifluoromethyl)phenyl]methanimine (CID 166442110) is furan-2-yl-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for furan-2-yl-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for furan-2-yl-[4-(trifluoromethyl)phenyl]methanimine is [H]/N=C(/c1ccc(C(F)(F)F)cc1)c1ccco1.
What is the InChIKey of furan-2-yl-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is NUIIKWRERAROSH-WJDWOHSUSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-12(14,15)9-5-3-8(4-6-9)11(16)10-2-1-7-17-10/h1-7,16H/b16-11-.
What are the key properties of furan-2-yl-[4-(trifluoromethyl)phenyl]methanimine?
furan-2-yl-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 239.20 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 166442110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).