N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine

C16H14F3NO — CID 11609020

IUPACN-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESCOc1ccc(/N=C(\C)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H14F3NO/c1-11(20-14-7-9-15(21-2)10-8-14)12-3-5-13(6-4-12)16(17,18)19/h3-10H,1-2H3/b20-11+
InChIKeyNFFJBPZOQXLZAQ-RGVLZGJSSA-N
MW293.29 g/mol
LogP4.85
Rot. Bonds3

About N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine

N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 11609020) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
PubChem CID11609020
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC NameN-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESCOc1ccc(/N=C(\C)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H14F3NO/c1-11(20-14-7-9-15(21-2)10-8-14)12-3-5-13(6-4-12)16(17,18)19/h3-10H,1-2H3/b20-11+
InChIKeyNFFJBPZOQXLZAQ-RGVLZGJSSA-N
XLogP4.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine (CID 11609020) is N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine is COc1ccc(/N=C(\C)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is NFFJBPZOQXLZAQ-RGVLZGJSSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-11(20-14-7-9-15(21-2)10-8-14)12-3-5-13(6-4-12)16(17,18)19/h3-10H,1-2H3/b20-11+.
What are the key properties of N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine?
N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 293.29 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 11609020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).