1-(3-methylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine

C13H10F3NOS — CID 2359104

IUPAC1-(3-methylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine
SMILESCc1ccsc1/C=N/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H10F3NOS/c1-9-6-7-19-12(9)8-17-10-2-4-11(5-3-10)18-13(14,15)16/h2-8H,1H3/b17-8+
InChIKeyGQOJWNYHEVKKAD-CAOOACKPSA-N
MW285.29 g/mol
LogP4.71
Rot. Bonds3

About 1-(3-methylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine

1-(3-methylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine (PubChem CID 2359104) has the molecular formula C13H10F3NOS and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine
PubChem CID2359104
Molecular FormulaC13H10F3NOS
Molecular Weight285.29 g/mol
Exact Mass285.04
IUPAC Name1-(3-methylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine
SMILESCc1ccsc1/C=N/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H10F3NOS/c1-9-6-7-19-12(9)8-17-10-2-4-11(5-3-10)18-13(14,15)16/h2-8H,1H3/b17-8+
InChIKeyGQOJWNYHEVKKAD-CAOOACKPSA-N
XLogP4.71
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 ≤ 54.71
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 1-(3-methylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine (CID 2359104) is 1-(3-methylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine is Cc1ccsc1/C=N/c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine?
The InChIKey is GQOJWNYHEVKKAD-CAOOACKPSA-N. The full InChI is InChI=1S/C13H10F3NOS/c1-9-6-7-19-12(9)8-17-10-2-4-11(5-3-10)18-13(14,15)16/h2-8H,1H3/b17-8+.
What are the key properties of 1-(3-methylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine?
1-(3-methylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine has a molecular weight of 285.29 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine is sourced from PubChem (CID 2359104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).