bis[4-(trifluoromethyl)phenyl]methanimine

C15H9F6N — CID 15857568

IUPACbis[4-(trifluoromethyl)phenyl]methanimine
SMILES[H]N=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9F6N/c16-14(17,18)11-5-1-9(2-6-11)13(22)10-3-7-12(8-4-10)15(19,20)21/h1-8,22H
InChIKeyQZLFVPWSACBCAP-UHFFFAOYSA-N
MW317.23 g/mol
LogP5.14
Rot. Bonds2

About bis[4-(trifluoromethyl)phenyl]methanimine

bis[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 15857568) has the molecular formula C15H9F6N and a molecular weight of 317.23 g/mol. Its IUPAC name is bis[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Namebis[4-(trifluoromethyl)phenyl]methanimine
PubChem CID15857568
Molecular FormulaC15H9F6N
Molecular Weight317.23 g/mol
Exact Mass317.06
IUPAC Namebis[4-(trifluoromethyl)phenyl]methanimine
SMILES[H]N=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9F6N/c16-14(17,18)11-5-1-9(2-6-11)13(22)10-3-7-12(8-4-10)15(19,20)21/h1-8,22H
InChIKeyQZLFVPWSACBCAP-UHFFFAOYSA-N
XLogP5.14
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.23
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 bis[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of bis[4-(trifluoromethyl)phenyl]methanimine (CID 15857568) is bis[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for bis[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for bis[4-(trifluoromethyl)phenyl]methanimine is [H]N=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of bis[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is QZLFVPWSACBCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N/c16-14(17,18)11-5-1-9(2-6-11)13(22)10-3-7-12(8-4-10)15(19,20)21/h1-8,22H.
What are the key properties of bis[4-(trifluoromethyl)phenyl]methanimine?
bis[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 317.23 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 15857568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).