2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide

C7H10ClF2NO — CID 130718570

IUPAC2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide
SMILESCC[C@@H]1C[C@H]1NC(=O)C(F)(F)Cl
InChIInChI=1S/C7H10ClF2NO/c1-2-4-3-5(4)11-6(12)7(8,9)10/h4-5H,2-3H2,1H3,(H,11,12)/t4-,5-/m1/s1
InChIKeyBCNDYOLHMTUXIA-RFZPGFLSSA-N
MW197.61 g/mol
LogP1.73
Rot. Bonds3

About 2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide

2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide (PubChem CID 130718570) has the molecular formula C7H10ClF2NO and a molecular weight of 197.61 g/mol. Its IUPAC name is 2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide
PubChem CID130718570
Molecular FormulaC7H10ClF2NO
Molecular Weight197.61 g/mol
Exact Mass197.04
IUPAC Name2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide
SMILESCC[C@@H]1C[C@H]1NC(=O)C(F)(F)Cl
InChIInChI=1S/C7H10ClF2NO/c1-2-4-3-5(4)11-6(12)7(8,9)10/h4-5H,2-3H2,1H3,(H,11,12)/t4-,5-/m1/s1
InChIKeyBCNDYOLHMTUXIA-RFZPGFLSSA-N
XLogP1.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.61
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide
CID 130884598
N-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide
CID 131131449
N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dimethylbut-2-enamide
CID 130884658
N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide
CID 64914468
2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 40538955
2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide
CID 130674365
(2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 130992352
trans-(1R,2R)-2-[(2-chloro-2,2-difluoroacetyl)amino]-N-methylcyclohexane-1-carboxamide
CID 99697543
N-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide
CID 114038212
(2R,4S)-N-(2-ethylcyclopropyl)-4-hydroxypyrrolidine-2-carboxamide
CID 130774710
(3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide
CID 166872199
2-(cyclopropylamino)-N-(2-ethylcyclopropyl)acetamide
CID 103843959

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide?
The IUPAC name of 2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide (CID 130718570) is 2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide.
What is the SMILES notation for 2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide?
The canonical SMILES for 2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide is CC[C@@H]1C[C@H]1NC(=O)C(F)(F)Cl.
What is the InChIKey of 2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide?
The InChIKey is BCNDYOLHMTUXIA-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H10ClF2NO/c1-2-4-3-5(4)11-6(12)7(8,9)10/h4-5H,2-3H2,1H3,(H,11,12)/t4-,5-/m1/s1.
What are the key properties of 2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide?
2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide has a molecular weight of 197.61 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide is sourced from PubChem (CID 130718570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).