(2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine

C10H11F3N2O — CID 58684117

IUPAC(2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine
SMILESNC/C=N/OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9-3-1-2-8(6-9)7-16-15-5-4-14/h1-3,5-6H,4,7,14H2/b15-5+
InChIKeyRRCLCYZUHHYARU-PJQLUOCWSA-N
MW232.21 g/mol
LogP2.17
Rot. Bonds4

About (2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine

(2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine (PubChem CID 58684117) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is (2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine.

Molecular Properties

Compound Name(2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine
PubChem CID58684117
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC Name(2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine
SMILESNC/C=N/OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9-3-1-2-8(6-9)7-16-15-5-4-14/h1-3,5-6H,4,7,14H2/b15-5+
InChIKeyRRCLCYZUHHYARU-PJQLUOCWSA-N
XLogP2.17
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
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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Related Compounds

(E)-N-phenylmethoxyethanimine
CID 11019027
acetaldehyde O-benzyloxime
CID 53920504
5-Hexenal oxime, o-[(pentafluorophenyl)methyl]-
CID 9603506
(E)-N-[(4-fluorophenyl)methoxy]ethanimine
CID 14128517
(E)-N-[(3,4-difluorophenyl)methoxy]-2,2-dimethylpropan-1-imine
CID 20584648
N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
CID 22356645
2-methyl-N-[[3-(trifluoromethyl)phenyl]methoxy]propan-2-amine
CID 57756664
(3E)-3-[[4-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine
CID 58684240
(2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine
CID 58684291
(3E)-3-[(4-fluorophenyl)methoxyimino]propan-1-amine
CID 58684342
(3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine
CID 58684355
(1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine
CID 58684623

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine?
The IUPAC name of (2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine (CID 58684117) is (2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine.
What is the SMILES notation for (2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine?
The canonical SMILES for (2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine is NC/C=N/OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine?
The InChIKey is RRCLCYZUHHYARU-PJQLUOCWSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)9-3-1-2-8(6-9)7-16-15-5-4-14/h1-3,5-6H,4,7,14H2/b15-5+.
What are the key properties of (2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine?
(2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine has a molecular weight of 232.21 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine is sourced from PubChem (CID 58684117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).