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

C17H16F3NO2 — CID 54338999

IUPAC2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethylideneamino]oxyethanol
SMILESCC(=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/h2-9,22H,10-11H2,1H3
InChIKeyTXPCPAWXSDBTJV-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.11
Rot. Bonds5

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

2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethylideneamino]oxyethanol (PubChem CID 54338999) 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]ethylideneamino]oxyethanol.

Molecular Properties

Compound Name2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethylideneamino]oxyethanol
PubChem CID54338999
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethylideneamino]oxyethanol
SMILESCC(=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/h2-9,22H,10-11H2,1H3
InChIKeyTXPCPAWXSDBTJV-UHFFFAOYSA-N
XLogP4.11
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.11
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol
CID 173297287
2-[3-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]phenyl]acetic acid
CID 59219227
(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-[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
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
3-methyl-1-[4-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]butan-2-one
CID 123786679

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethylideneamino]oxyethanol?
The IUPAC name of 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethylideneamino]oxyethanol (CID 54338999) is 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethylideneamino]oxyethanol.
What is the SMILES notation for 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethylideneamino]oxyethanol?
The canonical SMILES for 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethylideneamino]oxyethanol is CC(=NOCCO)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethylideneamino]oxyethanol?
The InChIKey is TXPCPAWXSDBTJV-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/h2-9,22H,10-11H2,1H3.
What are the key properties of 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethylideneamino]oxyethanol?
2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethylideneamino]oxyethanol has a molecular weight of 323.31 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethylideneamino]oxyethanol is sourced from PubChem (CID 54338999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).