3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide

C11H13F2NO2 — CID 176703397

IUPAC3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCOc1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO2/c1-14(2)11(15)3-4-16-10-6-8(12)5-9(13)7-10/h5-7H,3-4H2,1-2H3
InChIKeyOWMKLNHIFCGIHG-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.82
Rot. Bonds4

About 3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide

3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide (PubChem CID 176703397) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide
PubChem CID176703397
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCOc1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO2/c1-14(2)11(15)3-4-16-10-6-8(12)5-9(13)7-10/h5-7H,3-4H2,1-2H3
InChIKeyOWMKLNHIFCGIHG-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide (CID 176703397) is 3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide is CN(C)C(=O)CCOc1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide?
The InChIKey is OWMKLNHIFCGIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-14(2)11(15)3-4-16-10-6-8(12)5-9(13)7-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide?
3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide has a molecular weight of 229.23 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 176703397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).