N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine

C17H12F3NS2 — CID 2739999

IUPACN-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1cccc(/C=N/Cc2ccc(-c3cccs3)s2)c1
InChIInChI=1S/C17H12F3NS2/c18-17(19,20)13-4-1-3-12(9-13)10-21-11-14-6-7-16(23-14)15-5-2-8-22-15/h1-10H,11H2/b21-10+
InChIKeyMGIKXSOUCFHZDA-UFFVCSGVSA-N
MW351.42 g/mol
LogP6.11
Rot. Bonds4

About N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine

N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine (PubChem CID 2739999) has the molecular formula C17H12F3NS2 and a molecular weight of 351.42 g/mol. Its IUPAC name is N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine
PubChem CID2739999
Molecular FormulaC17H12F3NS2
Molecular Weight351.42 g/mol
Exact Mass351.04
IUPAC NameN-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1cccc(/C=N/Cc2ccc(-c3cccs3)s2)c1
InChIInChI=1S/C17H12F3NS2/c18-17(19,20)13-4-1-3-12(9-13)10-21-11-14-6-7-16(23-14)15-5-2-8-22-15/h1-10H,11H2/b21-10+
InChIKeyMGIKXSOUCFHZDA-UFFVCSGVSA-N
XLogP6.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.42
LogP ≤ 56.11
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 N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine (CID 2739999) is N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1cccc(/C=N/Cc2ccc(-c3cccs3)s2)c1.
What is the InChIKey of N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is MGIKXSOUCFHZDA-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H12F3NS2/c18-17(19,20)13-4-1-3-12(9-13)10-21-11-14-6-7-16(23-14)15-5-2-8-22-15/h1-10H,11H2/b21-10+.
What are the key properties of N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine?
N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 351.42 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 2739999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).