O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine

C8H8F3NO2 — CID 19370611

IUPACO-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine
SMILESNOCCOc1ccc(F)c(F)c1F
InChIInChI=1S/C8H8F3NO2/c9-5-1-2-6(8(11)7(5)10)13-3-4-14-12/h1-2H,3-4,12H2
InChIKeyUYZQEQNLBQBDLB-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.37
Rot. Bonds4

About O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine

O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine (PubChem CID 19370611) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine
PubChem CID19370611
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC NameO-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine
SMILESNOCCOc1ccc(F)c(F)c1F
InChIInChI=1S/C8H8F3NO2/c9-5-1-2-6(8(11)7(5)10)13-3-4-14-12/h1-2H,3-4,12H2
InChIKeyUYZQEQNLBQBDLB-UHFFFAOYSA-N
XLogP1.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine 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-(2,3,4-trifluorophenoxy)ethanol
CID 117051245
1-butoxy-2,3,4-trifluorobenzene
CID 53441447
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine
CID 83396466
1-(2,3,4-trifluorophenoxy)propan-2-amine
CID 83396701
1-(2,3,4-trifluorophenoxy)propan-2-one
CID 83396685
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
CID 117291282
O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride
CID 45158554
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline
CID 10358364
1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254

Frequently Asked Questions

What is the IUPAC name of O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine (CID 19370611) is O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine is NOCCOc1ccc(F)c(F)c1F.
What is the InChIKey of O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine?
The InChIKey is UYZQEQNLBQBDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-5-1-2-6(8(11)7(5)10)13-3-4-14-12/h1-2H,3-4,12H2.
What are the key properties of O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine?
O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine has a molecular weight of 207.15 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine is sourced from PubChem (CID 19370611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).