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

C12H8F3NS — CID 2346273

IUPAC1-(3-methylthiophen-2-yl)-N-(2,3,4-trifluorophenyl)methanimine
SMILESCc1ccsc1/C=N/c1ccc(F)c(F)c1F
InChIInChI=1S/C12H8F3NS/c1-7-4-5-17-10(7)6-16-9-3-2-8(13)11(14)12(9)15/h2-6H,1H3/b16-6+
InChIKeyTYSBDWMDTDVTRR-OMCISZLKSA-N
MW255.26 g/mol
LogP4.22
Rot. Bonds2

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

1-(3-methylthiophen-2-yl)-N-(2,3,4-trifluorophenyl)methanimine (PubChem CID 2346273) has the molecular formula C12H8F3NS and a molecular weight of 255.26 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-N-(2,3,4-trifluorophenyl)methanimine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-N-(2,3,4-trifluorophenyl)methanimine
PubChem CID2346273
Molecular FormulaC12H8F3NS
Molecular Weight255.26 g/mol
Exact Mass255.03
IUPAC Name1-(3-methylthiophen-2-yl)-N-(2,3,4-trifluorophenyl)methanimine
SMILESCc1ccsc1/C=N/c1ccc(F)c(F)c1F
InChIInChI=1S/C12H8F3NS/c1-7-4-5-17-10(7)6-16-9-3-2-8(13)11(14)12(9)15/h2-6H,1H3/b16-6+
InChIKeyTYSBDWMDTDVTRR-OMCISZLKSA-N
XLogP4.22
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 ≤ 54.22
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-(3-methylthiophen-2-yl)-N-(2,3,4-trifluorophenyl)methanimine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-N-(2,3,4-trifluorophenyl)methanimine (CID 2346273) is 1-(3-methylthiophen-2-yl)-N-(2,3,4-trifluorophenyl)methanimine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-N-(2,3,4-trifluorophenyl)methanimine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-N-(2,3,4-trifluorophenyl)methanimine is Cc1ccsc1/C=N/c1ccc(F)c(F)c1F.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-N-(2,3,4-trifluorophenyl)methanimine?
The InChIKey is TYSBDWMDTDVTRR-OMCISZLKSA-N. The full InChI is InChI=1S/C12H8F3NS/c1-7-4-5-17-10(7)6-16-9-3-2-8(13)11(14)12(9)15/h2-6H,1H3/b16-6+.
What are the key properties of 1-(3-methylthiophen-2-yl)-N-(2,3,4-trifluorophenyl)methanimine?
1-(3-methylthiophen-2-yl)-N-(2,3,4-trifluorophenyl)methanimine has a molecular weight of 255.26 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-N-(2,3,4-trifluorophenyl)methanimine is sourced from PubChem (CID 2346273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).