1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine

C13H10F3NO — CID 4134232

IUPAC1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
SMILESCc1ccc(/C=N/c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C13H10F3NO/c1-9-5-6-12(18-9)8-17-11-4-2-3-10(7-11)13(14,15)16/h2-8H,1H3/b17-8+
InChIKeyKSNBVTVCENUBRO-CAOOACKPSA-N
MW253.22 g/mol
LogP4.36
Rot. Bonds2

About 1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine

1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine (PubChem CID 4134232) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
PubChem CID4134232
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
SMILESCc1ccc(/C=N/c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C13H10F3NO/c1-9-5-6-12(18-9)8-17-11-4-2-3-10(7-11)13(14,15)16/h2-8H,1H3/b17-8+
InChIKeyKSNBVTVCENUBRO-CAOOACKPSA-N
XLogP4.36
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 964575
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 42991542
(5E)-5-[(5-methylfuran-2-yl)methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135766124
N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 4048886
5-methyl-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,2-dihydropyrazol-3-one
CID 1485847
N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine
CID 50885156
1-(4-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 5077829
N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide
CID 20763507
3-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875057
1-(3H-inden-1-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 159650311
4-hydroxy-3-[[3-(trifluoromethyl)phenyl]iminomethyl]chromen-2-one
CID 135460928
5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136996538

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine (CID 4134232) is 1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine is Cc1ccc(/C=N/c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is KSNBVTVCENUBRO-CAOOACKPSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-9-5-6-12(18-9)8-17-11-4-2-3-10(7-11)13(14,15)16/h2-8H,1H3/b17-8+.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine?
1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 253.22 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 4134232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).