1-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine

C13H10F3NS — CID 2818140

IUPAC1-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\c1ccccc1C(F)(F)F)c1cccs1
InChIInChI=1S/C13H10F3NS/c1-9(12-7-4-8-18-12)17-11-6-3-2-5-10(11)13(14,15)16/h2-8H,1H3/b17-9+
InChIKeyJWFZCCROOBNXPL-RQZCQDPDSA-N
MW269.29 g/mol
LogP4.91
Rot. Bonds2

About 1-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine

1-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine (PubChem CID 2818140) has the molecular formula C13H10F3NS and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine
PubChem CID2818140
Molecular FormulaC13H10F3NS
Molecular Weight269.29 g/mol
Exact Mass269.05
IUPAC Name1-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\c1ccccc1C(F)(F)F)c1cccs1
InChIInChI=1S/C13H10F3NS/c1-9(12-7-4-8-18-12)17-11-6-3-2-5-10(11)13(14,15)16/h2-8H,1H3/b17-9+
InChIKeyJWFZCCROOBNXPL-RQZCQDPDSA-N
XLogP4.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 54.91
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-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of 1-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine (CID 2818140) is 1-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for 1-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for 1-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine is C/C(=N\c1ccccc1C(F)(F)F)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is JWFZCCROOBNXPL-RQZCQDPDSA-N. The full InChI is InChI=1S/C13H10F3NS/c1-9(12-7-4-8-18-12)17-11-6-3-2-5-10(11)13(14,15)16/h2-8H,1H3/b17-9+.
What are the key properties of 1-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine?
1-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 269.29 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 2818140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).