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

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Related Compounds

2-(2-methoxyethoxy)butanamide
CID 62900293
2-(3-methoxypropoxy)butanamide
CID 62899538
2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide
CID 103229391
2-(1,1,1-trifluoropropan-2-yloxy)butanamide
CID 66274618
4-amino-2-(2,2-difluoroethoxy)butanoic acid
CID 82009326
2-(2,3,4,5,6-pentafluorohexoxy)butanoic acid
CID 175318324
2-(2-aminobutoxy)butanoic acid
CID 82352925
2-fluorobutyl hydrogen carbonate
CID 87127877
(2S)-2-fluoropropanamide
CID 129374964
2-(2,2-difluoroethoxy)propanethioamide
CID 82003964
2,2-difluoroethyl 2-fluoropropanoate
CID 141498564
2,2-difluoroethyl 2-methylpropanoate
CID 87205519

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).