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

C16H10F6N2O2 — CID 21236551

IUPAC(E)-1-[4-(trifluoromethoxy)phenyl]-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine
SMILESFC(F)(F)Oc1ccc(/C=N/N=C/c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H10F6N2O2/c17-15(18,19)25-13-5-1-11(2-6-13)9-23-24-10-12-3-7-14(8-4-12)26-16(20,21)22/h1-10H/b23-9+,24-10+
InChIKeyKOSXMDJAYMFZSI-WDBPGAOMSA-N
MW376.26 g/mol
LogP4.94
Rot. Bonds5

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

(E)-1-[4-(trifluoromethoxy)phenyl]-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine (PubChem CID 21236551) has the molecular formula C16H10F6N2O2 and a molecular weight of 376.26 g/mol. Its IUPAC name is (E)-1-[4-(trifluoromethoxy)phenyl]-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-[4-(trifluoromethoxy)phenyl]-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine
PubChem CID21236551
Molecular FormulaC16H10F6N2O2
Molecular Weight376.26 g/mol
Exact Mass376.06
IUPAC Name(E)-1-[4-(trifluoromethoxy)phenyl]-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine
SMILESFC(F)(F)Oc1ccc(/C=N/N=C/c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H10F6N2O2/c17-15(18,19)25-13-5-1-11(2-6-13)9-23-24-10-12-3-7-14(8-4-12)26-16(20,21)22/h1-10H/b23-9+,24-10+
InChIKeyKOSXMDJAYMFZSI-WDBPGAOMSA-N
XLogP4.94
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(trifluoromethoxy)phenyl]-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine?
The IUPAC name of (E)-1-[4-(trifluoromethoxy)phenyl]-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine (CID 21236551) is (E)-1-[4-(trifluoromethoxy)phenyl]-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine.
What is the SMILES notation for (E)-1-[4-(trifluoromethoxy)phenyl]-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine?
The canonical SMILES for (E)-1-[4-(trifluoromethoxy)phenyl]-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine is FC(F)(F)Oc1ccc(/C=N/N=C/c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of (E)-1-[4-(trifluoromethoxy)phenyl]-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine?
The InChIKey is KOSXMDJAYMFZSI-WDBPGAOMSA-N. The full InChI is InChI=1S/C16H10F6N2O2/c17-15(18,19)25-13-5-1-11(2-6-13)9-23-24-10-12-3-7-14(8-4-12)26-16(20,21)22/h1-10H/b23-9+,24-10+.
What are the key properties of (E)-1-[4-(trifluoromethoxy)phenyl]-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine?
(E)-1-[4-(trifluoromethoxy)phenyl]-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine has a molecular weight of 376.26 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(trifluoromethoxy)phenyl]-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine is sourced from PubChem (CID 21236551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).