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

C8H15F2NO2 — CID 103208954

IUPAC3-(2,2-difluoroethoxy)-N-propylpropanamide
SMILESCCCNC(=O)CCOCC(F)F
InChIInChI=1S/C8H15F2NO2/c1-2-4-11-8(12)3-5-13-6-7(9)10/h7H,2-6H2,1H3,(H,11,12)
InChIKeyLRTHZLWWTBRNJP-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.18
Rot. Bonds7

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

3-(2,2-difluoroethoxy)-N-propylpropanamide (PubChem CID 103208954) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-propylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-propylpropanamide
PubChem CID103208954
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name3-(2,2-difluoroethoxy)-N-propylpropanamide
SMILESCCCNC(=O)CCOCC(F)F
InChIInChI=1S/C8H15F2NO2/c1-2-4-11-8(12)3-5-13-6-7(9)10/h7H,2-6H2,1H3,(H,11,12)
InChIKeyLRTHZLWWTBRNJP-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
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-propylpropanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-propylpropanamide (CID 103208954) is 3-(2,2-difluoroethoxy)-N-propylpropanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-propylpropanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-propylpropanamide is CCCNC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-propylpropanamide?
The InChIKey is LRTHZLWWTBRNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-2-4-11-8(12)3-5-13-6-7(9)10/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-(2,2-difluoroethoxy)-N-propylpropanamide?
3-(2,2-difluoroethoxy)-N-propylpropanamide has a molecular weight of 195.21 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-propylpropanamide is sourced from PubChem (CID 103208954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).