1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine

C10H10F3NO — CID 173208454

IUPAC1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine
SMILESCC(=NOCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H10F3NO/c1-8(9-5-3-2-4-6-9)14-15-7-10(11,12)13/h2-6H,7H2,1H3
InChIKeyADAYHEHRMGIPKT-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.99
Rot. Bonds3

About 1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine

1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine (PubChem CID 173208454) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine.

Molecular Properties

Compound Name1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine
PubChem CID173208454
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine
SMILESCC(=NOCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H10F3NO/c1-8(9-5-3-2-4-6-9)14-15-7-10(11,12)13/h2-6H,7H2,1H3
InChIKeyADAYHEHRMGIPKT-UHFFFAOYSA-N
XLogP2.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.99
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

(E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine
CID 88980385
(E)-1-phenyl-N-prop-2-ynoxyethanimine
CID 6113693
N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride
CID 117067867
2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol
CID 173297287
N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine
CID 10242092
(Z)-N-phenoxy-1-phenylethanimine
CID 42624945
(E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine
CID 134837167
[(E)-1-phenylethylideneamino] acetate
CID 5392489
(E)-1-phenyl-N-trimethylsilyloxyethanimine
CID 5352994
triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium
CID 10547331
2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethylideneamino]oxyethanol
CID 54338999
(E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine
CID 88957278

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine?
The IUPAC name of 1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine (CID 173208454) is 1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine.
What is the SMILES notation for 1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine?
The canonical SMILES for 1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine is CC(=NOCC(F)(F)F)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine?
The InChIKey is ADAYHEHRMGIPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-8(9-5-3-2-4-6-9)14-15-7-10(11,12)13/h2-6H,7H2,1H3.
What are the key properties of 1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine?
1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine has a molecular weight of 217.19 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine is sourced from PubChem (CID 173208454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).