(E)-N-phenylmethoxy-1-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimine

C20H16F3NOS — CID 6245569

IUPAC(E)-N-phenylmethoxy-1-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimine
SMILESC/C(=N\OCc1ccccc1)c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C20H16F3NOS/c1-14(24-25-13-15-8-4-2-5-9-15)18-12-17(16-10-6-3-7-11-16)19(26-18)20(21,22)23/h2-12H,13H2,1H3/b24-14+
InChIKeyQLMWLWDWFYOZJE-ZVHZXABRSA-N
MW375.42 g/mol
LogP6.37
Rot. Bonds5

About (E)-N-phenylmethoxy-1-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimine

(E)-N-phenylmethoxy-1-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimine (PubChem CID 6245569) has the molecular formula C20H16F3NOS and a molecular weight of 375.42 g/mol. Its IUPAC name is (E)-N-phenylmethoxy-1-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimine.

Molecular Properties

Compound Name(E)-N-phenylmethoxy-1-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimine
PubChem CID6245569
Molecular FormulaC20H16F3NOS
Molecular Weight375.42 g/mol
Exact Mass375.09
IUPAC Name(E)-N-phenylmethoxy-1-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimine
SMILESC/C(=N\OCc1ccccc1)c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C20H16F3NOS/c1-14(24-25-13-15-8-4-2-5-9-15)18-12-17(16-10-6-3-7-11-16)19(26-18)20(21,22)23/h2-12H,13H2,1H3/b24-14+
InChIKeyQLMWLWDWFYOZJE-ZVHZXABRSA-N
XLogP6.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-N-phenylmethoxy-1-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimine?
The IUPAC name of (E)-N-phenylmethoxy-1-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimine (CID 6245569) is (E)-N-phenylmethoxy-1-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimine.
What is the SMILES notation for (E)-N-phenylmethoxy-1-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimine?
The canonical SMILES for (E)-N-phenylmethoxy-1-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimine is C/C(=N\OCc1ccccc1)c1cc(-c2ccccc2)c(C(F)(F)F)s1.
What is the InChIKey of (E)-N-phenylmethoxy-1-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimine?
The InChIKey is QLMWLWDWFYOZJE-ZVHZXABRSA-N. The full InChI is InChI=1S/C20H16F3NOS/c1-14(24-25-13-15-8-4-2-5-9-15)18-12-17(16-10-6-3-7-11-16)19(26-18)20(21,22)23/h2-12H,13H2,1H3/b24-14+.
What are the key properties of (E)-N-phenylmethoxy-1-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimine?
(E)-N-phenylmethoxy-1-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimine has a molecular weight of 375.42 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenylmethoxy-1-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimine is sourced from PubChem (CID 6245569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).