(E)-N-(2,2,2-trifluoroethoxy)ethanimine

C4H6F3NO — CID 130340574

IUPAC(E)-N-(2,2,2-trifluoroethoxy)ethanimine
SMILESC/C=N/OCC(F)(F)F
InChIInChI=1S/C4H6F3NO/c1-2-8-9-3-4(5,6)7/h2H,3H2,1H3/b8-2+
InChIKeyLZACGDWLRBAVAB-KRXBUXKQSA-N
MW141.09 g/mol
LogP1.57
Rot. Bonds2

About (E)-N-(2,2,2-trifluoroethoxy)ethanimine

(E)-N-(2,2,2-trifluoroethoxy)ethanimine (PubChem CID 130340574) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is (E)-N-(2,2,2-trifluoroethoxy)ethanimine.

Molecular Properties

Compound Name(E)-N-(2,2,2-trifluoroethoxy)ethanimine
PubChem CID130340574
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC Name(E)-N-(2,2,2-trifluoroethoxy)ethanimine
SMILESC/C=N/OCC(F)(F)F
InChIInChI=1S/C4H6F3NO/c1-2-8-9-3-4(5,6)7/h2H,3H2,1H3/b8-2+
InChIKeyLZACGDWLRBAVAB-KRXBUXKQSA-N
XLogP1.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 51.57
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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Related Compounds

(3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine
CID 58684963
N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide
CID 143770359
(E)-1-(2,2,2-trifluoroethoxy)but-2-ene
CID 102170359
2,2-bis(2,2,2-trifluoroethoxy)propane
CID 18927635
2-methyl-2-(2,2,2-trifluoroethoxy)propane
CID 13351891
2-propan-2-yl-5-[(E)-2,2,2-trifluoroethoxyiminomethyl]pyridine-3-sulfinic acid
CID 156880745
2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene
CID 88576082
(E)-1-(3-ethylsulfonyl-4-propan-2-ylphenyl)-N-(2,2,2-trifluoroethoxy)methanimine;sulfane
CID 156880771
1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine
CID 173208454
(E)-N-[(3,4-difluorophenyl)methoxy]ethanimine
CID 59571779
(2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene
CID 89265303
2,2,2-trifluoroethyl (E,1E)-N-[(E)-1-(methylamino)prop-1-enyl]-3-(2,2,2-trifluoroethoxy)but-2-enimidate
CID 143789989

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,2,2-trifluoroethoxy)ethanimine?
The IUPAC name of (E)-N-(2,2,2-trifluoroethoxy)ethanimine (CID 130340574) is (E)-N-(2,2,2-trifluoroethoxy)ethanimine.
What is the SMILES notation for (E)-N-(2,2,2-trifluoroethoxy)ethanimine?
The canonical SMILES for (E)-N-(2,2,2-trifluoroethoxy)ethanimine is C/C=N/OCC(F)(F)F.
What is the InChIKey of (E)-N-(2,2,2-trifluoroethoxy)ethanimine?
The InChIKey is LZACGDWLRBAVAB-KRXBUXKQSA-N. The full InChI is InChI=1S/C4H6F3NO/c1-2-8-9-3-4(5,6)7/h2H,3H2,1H3/b8-2+.
What are the key properties of (E)-N-(2,2,2-trifluoroethoxy)ethanimine?
(E)-N-(2,2,2-trifluoroethoxy)ethanimine has a molecular weight of 141.09 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2,2-trifluoroethoxy)ethanimine is sourced from PubChem (CID 130340574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).