N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine

C10H12FNO — CID 82686213

IUPACN-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
SMILESONC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C10H12FNO/c11-9-3-1-2-7(4-9)8-5-10(6-8)12-13/h1-4,8,10,12-13H,5-6H2
InChIKeyXQYZOWCBKPOAAC-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.05
Rot. Bonds2

About N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine

N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine (PubChem CID 82686213) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
PubChem CID82686213
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC NameN-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
SMILESONC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C10H12FNO/c11-9-3-1-2-7(4-9)8-5-10(6-8)12-13/h1-4,8,10,12-13H,5-6H2
InChIKeyXQYZOWCBKPOAAC-UHFFFAOYSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.05
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-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine?
The IUPAC name of N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine (CID 82686213) is N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine.
What is the SMILES notation for N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine?
The canonical SMILES for N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine is ONC1CC(c2cccc(F)c2)C1.
What is the InChIKey of N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine?
The InChIKey is XQYZOWCBKPOAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9-3-1-2-7(4-9)8-5-10(6-8)12-13/h1-4,8,10,12-13H,5-6H2.
What are the key properties of N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine?
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine has a molecular weight of 181.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine is sourced from PubChem (CID 82686213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).