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

C17H9F6NS2 — CID 2739831

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-1-(5-thiophen-2-ylthiophen-2-yl)methanimine
SMILESFC(F)(F)c1cc(/N=C/c2ccc(-c3cccs3)s2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H9F6NS2/c18-16(19,20)10-6-11(17(21,22)23)8-12(7-10)24-9-13-3-4-15(26-13)14-2-1-5-25-14/h1-9H/b24-9+
InChIKeyIVFICHFFPIFXNI-PGGKNCGUSA-N
MW405.39 g/mol
LogP7.26
Rot. Bonds3

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

N-[3,5-bis(trifluoromethyl)phenyl]-1-(5-thiophen-2-ylthiophen-2-yl)methanimine (PubChem CID 2739831) has the molecular formula C17H9F6NS2 and a molecular weight of 405.39 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-1-(5-thiophen-2-ylthiophen-2-yl)methanimine.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-1-(5-thiophen-2-ylthiophen-2-yl)methanimine
PubChem CID2739831
Molecular FormulaC17H9F6NS2
Molecular Weight405.39 g/mol
Exact Mass405.01
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-1-(5-thiophen-2-ylthiophen-2-yl)methanimine
SMILESFC(F)(F)c1cc(/N=C/c2ccc(-c3cccs3)s2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H9F6NS2/c18-16(19,20)10-6-11(17(21,22)23)8-12(7-10)24-9-13-3-4-15(26-13)14-2-1-5-25-14/h1-9H/b24-9+
InChIKeyIVFICHFFPIFXNI-PGGKNCGUSA-N
XLogP7.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.39
LogP ≤ 57.26
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-[3,5-bis(trifluoromethyl)phenyl]-1-(5-thiophen-2-ylthiophen-2-yl)methanimine?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-(5-thiophen-2-ylthiophen-2-yl)methanimine (CID 2739831) is N-[3,5-bis(trifluoromethyl)phenyl]-1-(5-thiophen-2-ylthiophen-2-yl)methanimine.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-1-(5-thiophen-2-ylthiophen-2-yl)methanimine?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-1-(5-thiophen-2-ylthiophen-2-yl)methanimine is FC(F)(F)c1cc(/N=C/c2ccc(-c3cccs3)s2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-1-(5-thiophen-2-ylthiophen-2-yl)methanimine?
The InChIKey is IVFICHFFPIFXNI-PGGKNCGUSA-N. The full InChI is InChI=1S/C17H9F6NS2/c18-16(19,20)10-6-11(17(21,22)23)8-12(7-10)24-9-13-3-4-15(26-13)14-2-1-5-25-14/h1-9H/b24-9+.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-1-(5-thiophen-2-ylthiophen-2-yl)methanimine?
N-[3,5-bis(trifluoromethyl)phenyl]-1-(5-thiophen-2-ylthiophen-2-yl)methanimine has a molecular weight of 405.39 g/mol, XLogP of 7.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-1-(5-thiophen-2-ylthiophen-2-yl)methanimine is sourced from PubChem (CID 2739831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).