N-[1-(3-chloro-4-fluorophenyl)ethyl]hydroxylamine

C8H9ClFNO — CID 82685597

IUPACN-[1-(3-chloro-4-fluorophenyl)ethyl]hydroxylamine
SMILESCC(NO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H9ClFNO/c1-5(11-12)6-2-3-8(10)7(9)4-6/h2-5,11-12H,1H3
InChIKeyWAPSEQSJMKODDL-UHFFFAOYSA-N
MW189.62 g/mol
LogP2.52
Rot. Bonds2

About N-[1-(3-chloro-4-fluorophenyl)ethyl]hydroxylamine

N-[1-(3-chloro-4-fluorophenyl)ethyl]hydroxylamine (PubChem CID 82685597) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)ethyl]hydroxylamine
PubChem CID82685597
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)ethyl]hydroxylamine
SMILESCC(NO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H9ClFNO/c1-5(11-12)6-2-3-8(10)7(9)4-6/h2-5,11-12H,1H3
InChIKeyWAPSEQSJMKODDL-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]hydroxylamine?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]hydroxylamine (CID 82685597) is N-[1-(3-chloro-4-fluorophenyl)ethyl]hydroxylamine.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)ethyl]hydroxylamine?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)ethyl]hydroxylamine is CC(NO)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)ethyl]hydroxylamine?
The InChIKey is WAPSEQSJMKODDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c1-5(11-12)6-2-3-8(10)7(9)4-6/h2-5,11-12H,1H3.
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)ethyl]hydroxylamine?
N-[1-(3-chloro-4-fluorophenyl)ethyl]hydroxylamine has a molecular weight of 189.62 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)ethyl]hydroxylamine is sourced from PubChem (CID 82685597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).