2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide

C8H13F2NO — CID 129257449

IUPAC2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CC1(F)F
InChIInChI=1S/C8H13F2NO/c1-5(2)11-7(12)3-6-4-8(6,9)10/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyAURQJPPIGJIJMS-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.56
Rot. Bonds3

About 2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide

2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide (PubChem CID 129257449) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide
PubChem CID129257449
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CC1(F)F
InChIInChI=1S/C8H13F2NO/c1-5(2)11-7(12)3-6-4-8(6,9)10/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyAURQJPPIGJIJMS-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide 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-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide (CID 129257449) is 2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide is CC(C)NC(=O)CC1CC1(F)F.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide?
The InChIKey is AURQJPPIGJIJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-5(2)11-7(12)3-6-4-8(6,9)10/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide?
2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide has a molecular weight of 177.19 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 129257449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).