2,2,2-trifluoro-N-tritylethanimine

C21H16F3N — CID 141427840

IUPAC2,2,2-trifluoro-N-tritylethanimine
SMILESFC(F)(F)/C=N/C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16F3N/c22-20(23,24)16-25-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H/b25-16+
InChIKeyYDIZMQGDOXSGBI-PCLIKHOPSA-N
MW339.36 g/mol
LogP5.61
Rot. Bonds4

About 2,2,2-trifluoro-N-tritylethanimine

2,2,2-trifluoro-N-tritylethanimine (PubChem CID 141427840) has the molecular formula C21H16F3N and a molecular weight of 339.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-tritylethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-tritylethanimine
PubChem CID141427840
Molecular FormulaC21H16F3N
Molecular Weight339.36 g/mol
Exact Mass339.12
IUPAC Name2,2,2-trifluoro-N-tritylethanimine
SMILESFC(F)(F)/C=N/C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16F3N/c22-20(23,24)16-25-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H/b25-16+
InChIKeyYDIZMQGDOXSGBI-PCLIKHOPSA-N
XLogP5.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.36
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-phenylethanimine
CID 86178154
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
2,2,2-trifluoro-N-(2-phenylethyl)ethanimine
CID 68565292
ethane;bis(trifluoromethylbenzene)
CID 142912000
(1,2-dichloro-1,2-difluoro-2-phenylethyl)benzene
CID 15026496
1,1-difluoroethylbenzene
CID 10942535
2-trityloxyiminoethanethioic S-acid
CID 87515774
azane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene
CID 18759354
(1,1-dibromo-2,2,2-trifluoroethyl)benzene
CID 12702818
(E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol
CID 169226625
(E)-1-phenyl-N-trityloxymethanimine
CID 5382595

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-tritylethanimine?
The IUPAC name of 2,2,2-trifluoro-N-tritylethanimine (CID 141427840) is 2,2,2-trifluoro-N-tritylethanimine.
What is the SMILES notation for 2,2,2-trifluoro-N-tritylethanimine?
The canonical SMILES for 2,2,2-trifluoro-N-tritylethanimine is FC(F)(F)/C=N/C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-tritylethanimine?
The InChIKey is YDIZMQGDOXSGBI-PCLIKHOPSA-N. The full InChI is InChI=1S/C21H16F3N/c22-20(23,24)16-25-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H/b25-16+.
What are the key properties of 2,2,2-trifluoro-N-tritylethanimine?
2,2,2-trifluoro-N-tritylethanimine has a molecular weight of 339.36 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-tritylethanimine is sourced from PubChem (CID 141427840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).