3-(2,2-difluoroethoxy)-N-prop-2-enylpropanamide

C8H13F2NO2 — CID 103208969

IUPAC3-(2,2-difluoroethoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCOCC(F)F
InChIInChI=1S/C8H13F2NO2/c1-2-4-11-8(12)3-5-13-6-7(9)10/h2,7H,1,3-6H2,(H,11,12)
InChIKeyOGXIALFAGSKORO-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.96
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-prop-2-enylpropanamide

3-(2,2-difluoroethoxy)-N-prop-2-enylpropanamide (PubChem CID 103208969) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-prop-2-enylpropanamide
PubChem CID103208969
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3-(2,2-difluoroethoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCOCC(F)F
InChIInChI=1S/C8H13F2NO2/c1-2-4-11-8(12)3-5-13-6-7(9)10/h2,7H,1,3-6H2,(H,11,12)
InChIKeyOGXIALFAGSKORO-UHFFFAOYSA-N
XLogP0.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-prop-2-enylpropanamide (CID 103208969) is 3-(2,2-difluoroethoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-prop-2-enylpropanamide is C=CCNC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-prop-2-enylpropanamide?
The InChIKey is OGXIALFAGSKORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-2-4-11-8(12)3-5-13-6-7(9)10/h2,7H,1,3-6H2,(H,11,12).
What are the key properties of 3-(2,2-difluoroethoxy)-N-prop-2-enylpropanamide?
3-(2,2-difluoroethoxy)-N-prop-2-enylpropanamide has a molecular weight of 193.19 g/mol, XLogP of 0.96, 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-prop-2-enylpropanamide is sourced from PubChem (CID 103208969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).