(2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol

C8H9ClFNO2 — CID 130642918

IUPAC(2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol
SMILESOC[C@H](NO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H9ClFNO2/c9-6-3-5(1-2-7(6)10)8(4-12)11-13/h1-3,8,11-13H,4H2/t8-/m0/s1
InChIKeyWKZSDUXLLMDDRA-QMMMGPOBSA-N
MW205.62 g/mol
LogP1.49
Rot. Bonds3

About (2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol

(2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol (PubChem CID 130642918) has the molecular formula C8H9ClFNO2 and a molecular weight of 205.62 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol
PubChem CID130642918
Molecular FormulaC8H9ClFNO2
Molecular Weight205.62 g/mol
Exact Mass205.03
IUPAC Name(2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol
SMILESOC[C@H](NO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H9ClFNO2/c9-6-3-5(1-2-7(6)10)8(4-12)11-13/h1-3,8,11-13H,4H2/t8-/m0/s1
InChIKeyWKZSDUXLLMDDRA-QMMMGPOBSA-N
XLogP1.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.62
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 147274817
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane
CID 142863332
2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol
CID 81165963
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
2-[(4-amino-6-ethyl-1,3,5-triazin-2-yl)amino]-2-(3-chloro-4-fluorophenyl)ethanol
CID 167905183
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 157294657
(2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol
CID 114987014
1-(3-chloro-4-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616189
(1S)-3-amino-1-(3-chloro-4-fluorophenyl)propan-1-ol
CID 96845808
[1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine
CID 105218176
1-(3-chloro-4-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 63094690
3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944456

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol?
The IUPAC name of (2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol (CID 130642918) is (2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol.
What is the SMILES notation for (2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol?
The canonical SMILES for (2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol is OC[C@H](NO)c1ccc(F)c(Cl)c1.
What is the InChIKey of (2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol?
The InChIKey is WKZSDUXLLMDDRA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9ClFNO2/c9-6-3-5(1-2-7(6)10)8(4-12)11-13/h1-3,8,11-13H,4H2/t8-/m0/s1.
What are the key properties of (2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol?
(2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol has a molecular weight of 205.62 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol is sourced from PubChem (CID 130642918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).