3-(2,2-difluoroethoxy)-N,N-diethylpropanamide

C9H17F2NO2 — CID 103208962

IUPAC3-(2,2-difluoroethoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCOCC(F)F
InChIInChI=1S/C9H17F2NO2/c1-3-12(4-2)9(13)5-6-14-7-8(10)11/h8H,3-7H2,1-2H3
InChIKeyLQLNXAFHHKZDMK-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.53
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N,N-diethylpropanamide

3-(2,2-difluoroethoxy)-N,N-diethylpropanamide (PubChem CID 103208962) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N,N-diethylpropanamide
PubChem CID103208962
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name3-(2,2-difluoroethoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCOCC(F)F
InChIInChI=1S/C9H17F2NO2/c1-3-12(4-2)9(13)5-6-14-7-8(10)11/h8H,3-7H2,1-2H3
InChIKeyLQLNXAFHHKZDMK-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N,N-diethylpropanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N,N-diethylpropanamide (CID 103208962) is 3-(2,2-difluoroethoxy)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N,N-diethylpropanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N,N-diethylpropanamide is CCN(CC)C(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N,N-diethylpropanamide?
The InChIKey is LQLNXAFHHKZDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-3-12(4-2)9(13)5-6-14-7-8(10)11/h8H,3-7H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N,N-diethylpropanamide?
3-(2,2-difluoroethoxy)-N,N-diethylpropanamide has a molecular weight of 209.24 g/mol, XLogP of 1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N,N-diethylpropanamide is sourced from PubChem (CID 103208962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).