2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide

C6H8ClF2NO2 — CID 130884598

IUPAC2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide
SMILESO=C(NC1CC1CO)C(F)(F)Cl
InChIInChI=1S/C6H8ClF2NO2/c7-6(8,9)5(12)10-4-1-3(4)2-11/h3-4,11H,1-2H2,(H,10,12)
InChIKeyMEAIUIAANKIPGH-UHFFFAOYSA-N
MW199.58 g/mol
LogP0.31
Rot. Bonds3

About 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide

2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide (PubChem CID 130884598) has the molecular formula C6H8ClF2NO2 and a molecular weight of 199.58 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide
PubChem CID130884598
Molecular FormulaC6H8ClF2NO2
Molecular Weight199.58 g/mol
Exact Mass199.02
IUPAC Name2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide
SMILESO=C(NC1CC1CO)C(F)(F)Cl
InChIInChI=1S/C6H8ClF2NO2/c7-6(8,9)5(12)10-4-1-3(4)2-11/h3-4,11H,1-2H2,(H,10,12)
InChIKeyMEAIUIAANKIPGH-UHFFFAOYSA-N
XLogP0.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.58
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide 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 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide?
The IUPAC name of 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide (CID 130884598) is 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide is O=C(NC1CC1CO)C(F)(F)Cl.
What is the InChIKey of 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide?
The InChIKey is MEAIUIAANKIPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF2NO2/c7-6(8,9)5(12)10-4-1-3(4)2-11/h3-4,11H,1-2H2,(H,10,12).
What are the key properties of 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide?
2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide has a molecular weight of 199.58 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide is sourced from PubChem (CID 130884598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).