N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide

C9H17F2NO3 — CID 103082774

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NCCOCC(F)F
InChIInChI=1S/C9H17F2NO3/c1-9(2,14-3)8(13)12-4-5-15-6-7(10)11/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyMUVCXDYIWQZXIL-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.81
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide

N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide (PubChem CID 103082774) has the molecular formula C9H17F2NO3 and a molecular weight of 225.23 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide
PubChem CID103082774
Molecular FormulaC9H17F2NO3
Molecular Weight225.23 g/mol
Exact Mass225.12
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NCCOCC(F)F
InChIInChI=1S/C9H17F2NO3/c1-9(2,14-3)8(13)12-4-5-15-6-7(10)11/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyMUVCXDYIWQZXIL-UHFFFAOYSA-N
XLogP0.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide (CID 103082774) is N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide?
The InChIKey is MUVCXDYIWQZXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO3/c1-9(2,14-3)8(13)12-4-5-15-6-7(10)11/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide?
N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide has a molecular weight of 225.23 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103082774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).