N-[(2R)-3,3-difluoro-2-phenylmethoxybutyl]hydroxylamine

C11H15F2NO2 — CID 15038965

IUPACN-[(2R)-3,3-difluoro-2-phenylmethoxybutyl]hydroxylamine
SMILESCC(F)(F)[C@@H](CNO)OCc1ccccc1
InChIInChI=1S/C11H15F2NO2/c1-11(12,13)10(7-14-15)16-8-9-5-3-2-4-6-9/h2-6,10,14-15H,7-8H2,1H3/t10-/m1/s1
InChIKeyJZYQODNPAVLADG-SNVBAGLBSA-N
MW231.24 g/mol
LogP2.21
Rot. Bonds6

About N-[(2R)-3,3-difluoro-2-phenylmethoxybutyl]hydroxylamine

N-[(2R)-3,3-difluoro-2-phenylmethoxybutyl]hydroxylamine (PubChem CID 15038965) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is N-[(2R)-3,3-difluoro-2-phenylmethoxybutyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2R)-3,3-difluoro-2-phenylmethoxybutyl]hydroxylamine
PubChem CID15038965
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC NameN-[(2R)-3,3-difluoro-2-phenylmethoxybutyl]hydroxylamine
SMILESCC(F)(F)[C@@H](CNO)OCc1ccccc1
InChIInChI=1S/C11H15F2NO2/c1-11(12,13)10(7-14-15)16-8-9-5-3-2-4-6-9/h2-6,10,14-15H,7-8H2,1H3/t10-/m1/s1
InChIKeyJZYQODNPAVLADG-SNVBAGLBSA-N
XLogP2.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2R)-3,3-difluoro-2-phenylmethoxybutyl]hydroxylamine?
The IUPAC name of N-[(2R)-3,3-difluoro-2-phenylmethoxybutyl]hydroxylamine (CID 15038965) is N-[(2R)-3,3-difluoro-2-phenylmethoxybutyl]hydroxylamine.
What is the SMILES notation for N-[(2R)-3,3-difluoro-2-phenylmethoxybutyl]hydroxylamine?
The canonical SMILES for N-[(2R)-3,3-difluoro-2-phenylmethoxybutyl]hydroxylamine is CC(F)(F)[C@@H](CNO)OCc1ccccc1.
What is the InChIKey of N-[(2R)-3,3-difluoro-2-phenylmethoxybutyl]hydroxylamine?
The InChIKey is JZYQODNPAVLADG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-11(12,13)10(7-14-15)16-8-9-5-3-2-4-6-9/h2-6,10,14-15H,7-8H2,1H3/t10-/m1/s1.
What are the key properties of N-[(2R)-3,3-difluoro-2-phenylmethoxybutyl]hydroxylamine?
N-[(2R)-3,3-difluoro-2-phenylmethoxybutyl]hydroxylamine has a molecular weight of 231.24 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-difluoro-2-phenylmethoxybutyl]hydroxylamine is sourced from PubChem (CID 15038965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).