1-(furan-2-yl)-N-(2,3,4-trifluorophenyl)methanimine

C11H6F3NO — CID 2356382

IUPAC1-(furan-2-yl)-N-(2,3,4-trifluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2ccco2)c(F)c1F
InChIInChI=1S/C11H6F3NO/c12-8-3-4-9(11(14)10(8)13)15-6-7-2-1-5-16-7/h1-6H/b15-6+
InChIKeyMNOKEMSBUBMSRJ-GIDUJCDVSA-N
MW225.17 g/mol
LogP3.45
Rot. Bonds2

About 1-(furan-2-yl)-N-(2,3,4-trifluorophenyl)methanimine

1-(furan-2-yl)-N-(2,3,4-trifluorophenyl)methanimine (PubChem CID 2356382) has the molecular formula C11H6F3NO and a molecular weight of 225.17 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(2,3,4-trifluorophenyl)methanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(2,3,4-trifluorophenyl)methanimine
PubChem CID2356382
Molecular FormulaC11H6F3NO
Molecular Weight225.17 g/mol
Exact Mass225.04
IUPAC Name1-(furan-2-yl)-N-(2,3,4-trifluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2ccco2)c(F)c1F
InChIInChI=1S/C11H6F3NO/c12-8-3-4-9(11(14)10(8)13)15-6-7-2-1-5-16-7/h1-6H/b15-6+
InChIKeyMNOKEMSBUBMSRJ-GIDUJCDVSA-N
XLogP3.45
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-(2,3,4-trifluorophenyl)methanimine?
The IUPAC name of 1-(furan-2-yl)-N-(2,3,4-trifluorophenyl)methanimine (CID 2356382) is 1-(furan-2-yl)-N-(2,3,4-trifluorophenyl)methanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-(2,3,4-trifluorophenyl)methanimine?
The canonical SMILES for 1-(furan-2-yl)-N-(2,3,4-trifluorophenyl)methanimine is Fc1ccc(/N=C/c2ccco2)c(F)c1F.
What is the InChIKey of 1-(furan-2-yl)-N-(2,3,4-trifluorophenyl)methanimine?
The InChIKey is MNOKEMSBUBMSRJ-GIDUJCDVSA-N. The full InChI is InChI=1S/C11H6F3NO/c12-8-3-4-9(11(14)10(8)13)15-6-7-2-1-5-16-7/h1-6H/b15-6+.
What are the key properties of 1-(furan-2-yl)-N-(2,3,4-trifluorophenyl)methanimine?
1-(furan-2-yl)-N-(2,3,4-trifluorophenyl)methanimine has a molecular weight of 225.17 g/mol, XLogP of 3.45, 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-(2,3,4-trifluorophenyl)methanimine is sourced from PubChem (CID 2356382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).