O-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine

C5H11F2NO — CID 117104615

IUPACO-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine
SMILESCC(C)(CON)C(F)F
InChIInChI=1S/C5H11F2NO/c1-5(2,3-9-8)4(6)7/h4H,3,8H2,1-2H3
InChIKeyKELFFJPAHSVMGH-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.17
Rot. Bonds3

About O-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine

O-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine (PubChem CID 117104615) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is O-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine.

Molecular Properties

Compound NameO-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine
PubChem CID117104615
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC NameO-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine
SMILESCC(C)(CON)C(F)F
InChIInChI=1S/C5H11F2NO/c1-5(2,3-9-8)4(6)7/h4H,3,8H2,1-2H3
InChIKeyKELFFJPAHSVMGH-UHFFFAOYSA-N
XLogP1.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.17
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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Frequently Asked Questions

What is the IUPAC name of O-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine?
The IUPAC name of O-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine (CID 117104615) is O-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine.
What is the SMILES notation for O-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine?
The canonical SMILES for O-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine is CC(C)(CON)C(F)F.
What is the InChIKey of O-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine?
The InChIKey is KELFFJPAHSVMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-5(2,3-9-8)4(6)7/h4H,3,8H2,1-2H3.
What are the key properties of O-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine?
O-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine has a molecular weight of 139.15 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3,3-difluoro-2,2-dimethylpropyl)hydroxylamine is sourced from PubChem (CID 117104615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).