3-(2,2-difluoroethoxy)-N-methoxy-N-methylpropanamide

C7H13F2NO3 — CID 103208951

IUPAC3-(2,2-difluoroethoxy)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)CCOCC(F)F
InChIInChI=1S/C7H13F2NO3/c1-10(12-2)7(11)3-4-13-5-6(8)9/h6H,3-5H2,1-2H3
InChIKeyQDRZQZXZBHHCLD-UHFFFAOYSA-N
MW197.18 g/mol
LogP0.68
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-methoxy-N-methylpropanamide

3-(2,2-difluoroethoxy)-N-methoxy-N-methylpropanamide (PubChem CID 103208951) has the molecular formula C7H13F2NO3 and a molecular weight of 197.18 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-methoxy-N-methylpropanamide
PubChem CID103208951
Molecular FormulaC7H13F2NO3
Molecular Weight197.18 g/mol
Exact Mass197.09
IUPAC Name3-(2,2-difluoroethoxy)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)CCOCC(F)F
InChIInChI=1S/C7H13F2NO3/c1-10(12-2)7(11)3-4-13-5-6(8)9/h6H,3-5H2,1-2H3
InChIKeyQDRZQZXZBHHCLD-UHFFFAOYSA-N
XLogP0.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-methoxy-N-methylpropanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methoxy-N-methylpropanamide (CID 103208951) is 3-(2,2-difluoroethoxy)-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methoxy-N-methylpropanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methoxy-N-methylpropanamide is CON(C)C(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methoxy-N-methylpropanamide?
The InChIKey is QDRZQZXZBHHCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3/c1-10(12-2)7(11)3-4-13-5-6(8)9/h6H,3-5H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-methoxy-N-methylpropanamide?
3-(2,2-difluoroethoxy)-N-methoxy-N-methylpropanamide has a molecular weight of 197.18 g/mol, XLogP of 0.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 103208951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).