2-(2,2-difluoroethoxy)butanamide

C6H11F2NO2 — CID 82006448

IUPAC2-(2,2-difluoroethoxy)butanamide
SMILESCCC(OCC(F)F)C(N)=O
InChIInChI=1S/C6H11F2NO2/c1-2-4(6(9)10)11-3-5(7)8/h4-5H,2-3H2,1H3,(H2,9,10)
InChIKeyHODPVUHESWTYIX-UHFFFAOYSA-N
MW167.15 g/mol
LogP0.53
Rot. Bonds5

About 2-(2,2-difluoroethoxy)butanamide

2-(2,2-difluoroethoxy)butanamide (PubChem CID 82006448) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)butanamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)butanamide
PubChem CID82006448
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Name2-(2,2-difluoroethoxy)butanamide
SMILESCCC(OCC(F)F)C(N)=O
InChIInChI=1S/C6H11F2NO2/c1-2-4(6(9)10)11-3-5(7)8/h4-5H,2-3H2,1H3,(H2,9,10)
InChIKeyHODPVUHESWTYIX-UHFFFAOYSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-difluoroethoxy)butanamide 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-difluoroethoxy)butanamide?
The IUPAC name of 2-(2,2-difluoroethoxy)butanamide (CID 82006448) is 2-(2,2-difluoroethoxy)butanamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)butanamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)butanamide is CCC(OCC(F)F)C(N)=O.
What is the InChIKey of 2-(2,2-difluoroethoxy)butanamide?
The InChIKey is HODPVUHESWTYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-2-4(6(9)10)11-3-5(7)8/h4-5H,2-3H2,1H3,(H2,9,10).
What are the key properties of 2-(2,2-difluoroethoxy)butanamide?
2-(2,2-difluoroethoxy)butanamide has a molecular weight of 167.15 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)butanamide is sourced from PubChem (CID 82006448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).