2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide

C10H11F2NO3 — CID 91620381

IUPAC2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)COc1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2NO3/c1-13(15-2)10(14)6-16-9-4-7(11)3-8(12)5-9/h3-5H,6H2,1-2H3
InChIKeyMIUBWIZLGRVANS-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.36
Rot. Bonds4

About 2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide

2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide (PubChem CID 91620381) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide
PubChem CID91620381
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)COc1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2NO3/c1-13(15-2)10(14)6-16-9-4-7(11)3-8(12)5-9/h3-5H,6H2,1-2H3
InChIKeyMIUBWIZLGRVANS-UHFFFAOYSA-N
XLogP1.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N-methyl-2-(4-methylphenoxy)acetamide
CID 59178255
1-(3,5-difluorophenoxy)-3-methoxypropan-2-one
CID 107508147
2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide
CID 60652409
3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide
CID 176703397
2-(3,5-difluorophenoxy)acetyl chloride
CID 168917412
1-(3,5-difluorophenoxy)-3,3-dimethylbutan-2-one
CID 62784864
N-methoxy-N-methyl-2-(3-nitrophenoxy)acetamide
CID 55027939
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423
N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide
CID 62785960
1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone
CID 63908587
tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate
CID 146282121
tert-butyl 2-(3-fluoro-5-hydroxyphenoxy)acetate
CID 70843236

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide (CID 91620381) is 2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide is CON(C)C(=O)COc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide?
The InChIKey is MIUBWIZLGRVANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-13(15-2)10(14)6-16-9-4-7(11)3-8(12)5-9/h3-5H,6H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide?
2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide has a molecular weight of 231.20 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 91620381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).