O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine

C8H9ClFNO — CID 117281688

IUPACO-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine
SMILESNOCCc1cc(F)cc(Cl)c1
InChIInChI=1S/C8H9ClFNO/c9-7-3-6(1-2-12-11)4-8(10)5-7/h3-5H,1-2,11H2
InChIKeyPPIUDXCRJAYYEG-UHFFFAOYSA-N
MW189.62 g/mol
LogP1.91
Rot. Bonds3

About O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine

O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine (PubChem CID 117281688) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine
PubChem CID117281688
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC NameO-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine
SMILESNOCCc1cc(F)cc(Cl)c1
InChIInChI=1S/C8H9ClFNO/c9-7-3-6(1-2-12-11)4-8(10)5-7/h3-5H,1-2,11H2
InChIKeyPPIUDXCRJAYYEG-UHFFFAOYSA-N
XLogP1.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine
CID 117280299
(2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine
CID 130650457
4-(3-chloro-5-fluorophenyl)butan-1-amine
CID 114454855
5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol
CID 117280609
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
CID 117281685
1-chloro-3,5-difluorobenzene
CID 159732874
O-(3-chloro-5-fluorophenyl)hydroxylamine
CID 162421873
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047
4-(3-chloro-5-fluorophenyl)-N-propan-2-ylbutan-1-amine
CID 114454859
O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine
CID 117296930
N-[(3-chloro-5-fluorophenyl)methyl]-N-methylethanamine
CID 130637213

Frequently Asked Questions

What is the IUPAC name of O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine (CID 117281688) is O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine is NOCCc1cc(F)cc(Cl)c1.
What is the InChIKey of O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine?
The InChIKey is PPIUDXCRJAYYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c9-7-3-6(1-2-12-11)4-8(10)5-7/h3-5H,1-2,11H2.
What are the key properties of O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine?
O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine has a molecular weight of 189.62 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117281688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).