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

C16H16FNO2 — CID 57122048

IUPAC2-[1-[4-(4-fluorophenyl)phenyl]ethenylamino]oxyethanol
SMILESC=C(NOCCO)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-12(18-20-11-10-19)13-2-4-14(5-3-13)15-6-8-16(17)9-7-15/h2-9,18-19H,1,10-11H2
InChIKeyAMRYVPOVYIRXHK-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.98
Rot. Bonds6

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

2-[1-[4-(4-fluorophenyl)phenyl]ethenylamino]oxyethanol (PubChem CID 57122048) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[1-[4-(4-fluorophenyl)phenyl]ethenylamino]oxyethanol.

Molecular Properties

Compound Name2-[1-[4-(4-fluorophenyl)phenyl]ethenylamino]oxyethanol
PubChem CID57122048
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-[1-[4-(4-fluorophenyl)phenyl]ethenylamino]oxyethanol
SMILESC=C(NOCCO)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-12(18-20-11-10-19)13-2-4-14(5-3-13)15-6-8-16(17)9-7-15/h2-9,18-19H,1,10-11H2
InChIKeyAMRYVPOVYIRXHK-UHFFFAOYSA-N
XLogP2.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.98
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-(Trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol
CID 57068225
2-[1-[4-(4-Fluorophenyl)phenyl]ethenylamino]oxyethyl methanesulfonate
CID 91464018
[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
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
2-(1-Naphthalen-2-ylethenylamino)oxyethanol
CID 57035199
N-methoxy-1-(4-phenylphenyl)ethenamine
CID 57139262
1-[1-(4-Phenylphenyl)ethenylamino]oxyethanol
CID 57183676
2-[1-(4-Phenylphenyl)ethenylamino]oxyethanol
CID 57184064
2-[1-[4-(4-Methylphenyl)phenyl]ethenylamino]oxyethanol
CID 57280057

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-fluorophenyl)phenyl]ethenylamino]oxyethanol?
The IUPAC name of 2-[1-[4-(4-fluorophenyl)phenyl]ethenylamino]oxyethanol (CID 57122048) is 2-[1-[4-(4-fluorophenyl)phenyl]ethenylamino]oxyethanol.
What is the SMILES notation for 2-[1-[4-(4-fluorophenyl)phenyl]ethenylamino]oxyethanol?
The canonical SMILES for 2-[1-[4-(4-fluorophenyl)phenyl]ethenylamino]oxyethanol is C=C(NOCCO)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[1-[4-(4-fluorophenyl)phenyl]ethenylamino]oxyethanol?
The InChIKey is AMRYVPOVYIRXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-12(18-20-11-10-19)13-2-4-14(5-3-13)15-6-8-16(17)9-7-15/h2-9,18-19H,1,10-11H2.
What are the key properties of 2-[1-[4-(4-fluorophenyl)phenyl]ethenylamino]oxyethanol?
2-[1-[4-(4-fluorophenyl)phenyl]ethenylamino]oxyethanol has a molecular weight of 273.31 g/mol, XLogP of 2.98, 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-fluorophenyl)phenyl]ethenylamino]oxyethanol is sourced from PubChem (CID 57122048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).