2,2,2-trifluoro-N-(4-methoxyphenyl)-1-thiophen-2-ylethanimine

C13H10F3NOS — CID 101069464

IUPAC2,2,2-trifluoro-N-(4-methoxyphenyl)-1-thiophen-2-ylethanimine
SMILESCOc1ccc(/N=C(/c2cccs2)C(F)(F)F)cc1
InChIInChI=1S/C13H10F3NOS/c1-18-10-6-4-9(5-7-10)17-12(13(14,15)16)11-3-2-8-19-11/h2-8H,1H3/b17-12-
InChIKeyUSMGPSBEYXMJRV-ATVHPVEESA-N
MW285.29 g/mol
LogP4.44
Rot. Bonds3

About 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-thiophen-2-ylethanimine

2,2,2-trifluoro-N-(4-methoxyphenyl)-1-thiophen-2-ylethanimine (PubChem CID 101069464) has the molecular formula C13H10F3NOS and a molecular weight of 285.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-thiophen-2-ylethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methoxyphenyl)-1-thiophen-2-ylethanimine
PubChem CID101069464
Molecular FormulaC13H10F3NOS
Molecular Weight285.29 g/mol
Exact Mass285.04
IUPAC Name2,2,2-trifluoro-N-(4-methoxyphenyl)-1-thiophen-2-ylethanimine
SMILESCOc1ccc(/N=C(/c2cccs2)C(F)(F)F)cc1
InChIInChI=1S/C13H10F3NOS/c1-18-10-6-4-9(5-7-10)17-12(13(14,15)16)11-3-2-8-19-11/h2-8H,1H3/b17-12-
InChIKeyUSMGPSBEYXMJRV-ATVHPVEESA-N
XLogP4.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 54.44
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 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-thiophen-2-ylethanimine?
The IUPAC name of 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-thiophen-2-ylethanimine (CID 101069464) is 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-thiophen-2-ylethanimine.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-thiophen-2-ylethanimine?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-thiophen-2-ylethanimine is COc1ccc(/N=C(/c2cccs2)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-thiophen-2-ylethanimine?
The InChIKey is USMGPSBEYXMJRV-ATVHPVEESA-N. The full InChI is InChI=1S/C13H10F3NOS/c1-18-10-6-4-9(5-7-10)17-12(13(14,15)16)11-3-2-8-19-11/h2-8H,1H3/b17-12-.
What are the key properties of 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-thiophen-2-ylethanimine?
2,2,2-trifluoro-N-(4-methoxyphenyl)-1-thiophen-2-ylethanimine has a molecular weight of 285.29 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-thiophen-2-ylethanimine is sourced from PubChem (CID 101069464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).