2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol

C11H12F3NO2 — CID 173297287

IUPAC2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol
SMILESCC(=NOCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO2/c1-8(15-17-7-6-16)9-2-4-10(5-3-9)11(12,13)14/h2-5,16H,6-7H2,1H3
InChIKeyTXGJGBWQPRPXSV-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.44
Rot. Bonds4

About 2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol

2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol (PubChem CID 173297287) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol
PubChem CID173297287
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol
SMILESCC(=NOCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO2/c1-8(15-17-7-6-16)9-2-4-10(5-3-9)11(12,13)14/h2-5,16H,6-7H2,1H3
InChIKeyTXGJGBWQPRPXSV-UHFFFAOYSA-N
XLogP2.44
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethylideneamino]oxyethanol
CID 54338999
(E)-N-(1-bromoethoxy)-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 176902575
1-[[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]methyl]pyrrolidine-2,5-dione
CID 118238893
1-[[4-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]methyl]pyrrolidine-2,5-dione
CID 118954254
2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]acetonitrile
CID 118238868
(E)-1-(4-prop-2-ynoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118954273
tert-butyl 4-[2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethoxy]piperidine-1-carboxylate
CID 74974822
1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine
CID 173208454
2-[5-[[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]methyl]tetrazol-2-yl]ethanol
CID 118248832
(E)-1-[4-(triazol-2-ylmethoxy)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118248780
3-methyl-1-[4-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]butan-2-one
CID 123786679
methyl (Z)-4,4,4-trifluoro-3-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxybut-2-enoate
CID 11089554

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol?
The IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol (CID 173297287) is 2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol is CC(=NOCCO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol?
The InChIKey is TXGJGBWQPRPXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-8(15-17-7-6-16)9-2-4-10(5-3-9)11(12,13)14/h2-5,16H,6-7H2,1H3.
What are the key properties of 2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol?
2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol has a molecular weight of 247.22 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol is sourced from PubChem (CID 173297287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).