1-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine

C12H8F3NS — CID 2351311

IUPAC1-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/N=C/c2cccs2)cc1
InChIInChI=1S/C12H8F3NS/c13-12(14,15)9-3-5-10(6-4-9)16-8-11-2-1-7-17-11/h1-8H/b16-8+
InChIKeyNIKCFNMVUZMANS-LZYBPNLTSA-N
MW255.26 g/mol
LogP4.52
Rot. Bonds2

About 1-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine

1-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 2351311) has the molecular formula C12H8F3NS and a molecular weight of 255.26 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID2351311
Molecular FormulaC12H8F3NS
Molecular Weight255.26 g/mol
Exact Mass255.03
IUPAC Name1-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/N=C/c2cccs2)cc1
InChIInChI=1S/C12H8F3NS/c13-12(14,15)9-3-5-10(6-4-9)16-8-11-2-1-7-17-11/h1-8H/b16-8+
InChIKeyNIKCFNMVUZMANS-LZYBPNLTSA-N
XLogP4.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 54.52
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-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of 1-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine (CID 2351311) is 1-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for 1-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for 1-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(/N=C/c2cccs2)cc1.
What is the InChIKey of 1-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is NIKCFNMVUZMANS-LZYBPNLTSA-N. The full InChI is InChI=1S/C12H8F3NS/c13-12(14,15)9-3-5-10(6-4-9)16-8-11-2-1-7-17-11/h1-8H/b16-8+.
What are the key properties of 1-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine?
1-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 255.26 g/mol, XLogP of 4.52, 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-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 2351311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).