(E)-1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanimine

C16H10F6N2 — CID 139071087

IUPAC(E)-1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanimine
SMILESFC(F)(F)c1ccc(/C=N/N=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H10F6N2/c17-15(18,19)13-5-1-11(2-6-13)9-23-24-10-12-3-7-14(8-4-12)16(20,21)22/h1-10H/b23-9+,24-10+
InChIKeyXUHKFRMNAZHZKG-WDBPGAOMSA-N
MW344.26 g/mol
LogP5.18
Rot. Bonds3

About (E)-1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanimine

(E)-1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanimine (PubChem CID 139071087) has the molecular formula C16H10F6N2 and a molecular weight of 344.26 g/mol. Its IUPAC name is (E)-1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanimine
PubChem CID139071087
Molecular FormulaC16H10F6N2
Molecular Weight344.26 g/mol
Exact Mass344.07
IUPAC Name(E)-1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanimine
SMILESFC(F)(F)c1ccc(/C=N/N=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H10F6N2/c17-15(18,19)13-5-1-11(2-6-13)9-23-24-10-12-3-7-14(8-4-12)16(20,21)22/h1-10H/b23-9+,24-10+
InChIKeyXUHKFRMNAZHZKG-WDBPGAOMSA-N
XLogP5.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.26
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanimine?
The IUPAC name of (E)-1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanimine (CID 139071087) is (E)-1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanimine.
What is the SMILES notation for (E)-1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanimine?
The canonical SMILES for (E)-1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanimine is FC(F)(F)c1ccc(/C=N/N=C/c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (E)-1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanimine?
The InChIKey is XUHKFRMNAZHZKG-WDBPGAOMSA-N. The full InChI is InChI=1S/C16H10F6N2/c17-15(18,19)13-5-1-11(2-6-13)9-23-24-10-12-3-7-14(8-4-12)16(20,21)22/h1-10H/b23-9+,24-10+.
What are the key properties of (E)-1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanimine?
(E)-1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanimine has a molecular weight of 344.26 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(trifluoromethyl)phenyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]methanimine is sourced from PubChem (CID 139071087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).