O-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine

C7H13F2NO — CID 115013019

IUPACO-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine
SMILESNOCC(F)(F)C1CCCC1
InChIInChI=1S/C7H13F2NO/c8-7(9,5-11-10)6-3-1-2-4-6/h6H,1-5,10H2
InChIKeyZWLQAFYITUXLQN-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.70
Rot. Bonds3

About O-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine

O-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine (PubChem CID 115013019) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is O-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine.

Molecular Properties

Compound NameO-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine
PubChem CID115013019
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC NameO-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine
SMILESNOCC(F)(F)C1CCCC1
InChIInChI=1S/C7H13F2NO/c8-7(9,5-11-10)6-3-1-2-4-6/h6H,1-5,10H2
InChIKeyZWLQAFYITUXLQN-UHFFFAOYSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze O-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of O-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine?
The IUPAC name of O-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine (CID 115013019) is O-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine.
What is the SMILES notation for O-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine?
The canonical SMILES for O-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine is NOCC(F)(F)C1CCCC1.
What is the InChIKey of O-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine?
The InChIKey is ZWLQAFYITUXLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9,5-11-10)6-3-1-2-4-6/h6H,1-5,10H2.
What are the key properties of O-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine?
O-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine has a molecular weight of 165.18 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-cyclopentyl-2,2-difluoroethyl)hydroxylamine is sourced from PubChem (CID 115013019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).