(E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine

C19H17F6NO — CID 88957502

IUPAC(E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine
SMILESCC/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C19H17F6NO/c1-3-17(15-9-4-12(2)10-16(15)19(23,24)25)26-27-11-13-5-7-14(8-6-13)18(20,21)22/h4-10H,3,11H2,1-2H3/b26-17+
InChIKeyGFAJZVRUOZFCAJ-YZSQISJMSA-N
MW389.34 g/mol
LogP6.36
Rot. Bonds5

About (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine

(E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine (PubChem CID 88957502) has the molecular formula C19H17F6NO and a molecular weight of 389.34 g/mol. Its IUPAC name is (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine.

Molecular Properties

Compound Name(E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine
PubChem CID88957502
Molecular FormulaC19H17F6NO
Molecular Weight389.34 g/mol
Exact Mass389.12
IUPAC Name(E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine
SMILESCC/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C19H17F6NO/c1-3-17(15-9-4-12(2)10-16(15)19(23,24)25)26-27-11-13-5-7-14(8-6-13)18(20,21)22/h4-10H,3,11H2,1-2H3/b26-17+
InChIKeyGFAJZVRUOZFCAJ-YZSQISJMSA-N
XLogP6.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.34
LogP ≤ 56.36
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-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine?
The IUPAC name of (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine (CID 88957502) is (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine.
What is the SMILES notation for (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine?
The canonical SMILES for (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine is CC/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1C(F)(F)F.
What is the InChIKey of (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine?
The InChIKey is GFAJZVRUOZFCAJ-YZSQISJMSA-N. The full InChI is InChI=1S/C19H17F6NO/c1-3-17(15-9-4-12(2)10-16(15)19(23,24)25)26-27-11-13-5-7-14(8-6-13)18(20,21)22/h4-10H,3,11H2,1-2H3/b26-17+.
What are the key properties of (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine?
(E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine has a molecular weight of 389.34 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine is sourced from PubChem (CID 88957502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).