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

C17H16F3NO2 — CID 57068225

IUPAC2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol
SMILESC=C(NOCCO)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3NO2/c1-12(21-23-11-10-22)13-2-4-14(5-3-13)15-6-8-16(9-7-15)17(18,19)20/h2-9,21-22H,1,10-11H2
InChIKeyNBGIBCOHDIATFX-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.86
Rot. Bonds6

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

2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol (PubChem CID 57068225) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol.

Molecular Properties

Compound Name2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol
PubChem CID57068225
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol
SMILESC=C(NOCCO)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3NO2/c1-12(21-23-11-10-22)13-2-4-14(5-3-13)15-6-8-16(9-7-15)17(18,19)20/h2-9,21-22H,1,10-11H2
InChIKeyNBGIBCOHDIATFX-UHFFFAOYSA-N
XLogP3.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[4-(4-Fluorophenyl)phenyl]ethenylamino]oxyethanol
CID 57122048
N-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine
CID 89269181
[3-[3-Fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91476454
1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethenamine
CID 123241366
1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine
CID 123257125
1-[4-(2-methylphenyl)phenyl]-N-(trifluoromethoxy)ethenamine
CID 123345524
N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine
CID 123505490
N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethenamine
CID 123805238
Butan-1-ol;1-[4-[2-(4-butylphenyl)ethyl]-3-(trifluoromethyl)phenyl]ethenamine
CID 145056501
1-[4-[2-(4-Butylphenyl)ethyl]-3-(trifluoromethyl)phenyl]ethenamine;propan-1-ol
CID 145378421
1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82711880
2-(1-Naphthalen-2-ylethenylamino)oxyethanol
CID 57035199

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol?
The IUPAC name of 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol (CID 57068225) is 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol.
What is the SMILES notation for 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol?
The canonical SMILES for 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol is C=C(NOCCO)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol?
The InChIKey is NBGIBCOHDIATFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-12(21-23-11-10-22)13-2-4-14(5-3-13)15-6-8-16(9-7-15)17(18,19)20/h2-9,21-22H,1,10-11H2.
What are the key properties of 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol?
2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol has a molecular weight of 323.31 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol is sourced from PubChem (CID 57068225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).