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'}

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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).