3-(2,2-difluoroethoxy)-N-(2-methylprop-2-enyl)propanamide

C9H15F2NO2 — CID 103208995

IUPAC3-(2,2-difluoroethoxy)-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CNC(=O)CCOCC(F)F
InChIInChI=1S/C9H15F2NO2/c1-7(2)5-12-9(13)3-4-14-6-8(10)11/h8H,1,3-6H2,2H3,(H,12,13)
InChIKeyCWEQGBMOIXLKJI-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.35
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-(2-methylprop-2-enyl)propanamide

3-(2,2-difluoroethoxy)-N-(2-methylprop-2-enyl)propanamide (PubChem CID 103208995) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(2-methylprop-2-enyl)propanamide
PubChem CID103208995
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name3-(2,2-difluoroethoxy)-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CNC(=O)CCOCC(F)F
InChIInChI=1S/C9H15F2NO2/c1-7(2)5-12-9(13)3-4-14-6-8(10)11/h8H,1,3-6H2,2H3,(H,12,13)
InChIKeyCWEQGBMOIXLKJI-UHFFFAOYSA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.35
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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Related Compounds

4,4,4-trifluoro-N-(3-methoxypropyl)-3-methylbut-2-enamide
CID 123178289
3-(2,2-difluoroethoxy)-N-propylpropanamide
CID 103208954
3-(2,2-difluoroethoxy)-N-prop-2-enylpropanamide
CID 103208969
3-(2,2-difluoroethoxy)-N-(2-methylpropyl)propanamide
CID 103208971
N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208987
N-(2-bromoprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208988
N-but-3-enyl-3-(2,2-difluoroethoxy)propanamide
CID 103208990
3-(2,2-difluoroethoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 103208993
N-[(E)-4-aminobut-2-enyl]-3-(2,2-difluoroethoxy)propanamide
CID 103209725
N-[(E)-4-aminobut-2-enyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209726
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 113258482
N-(2-methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 114618868

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-methylprop-2-enyl)propanamide (CID 103208995) is 3-(2,2-difluoroethoxy)-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(2-methylprop-2-enyl)propanamide is C=C(C)CNC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is CWEQGBMOIXLKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-7(2)5-12-9(13)3-4-14-6-8(10)11/h8H,1,3-6H2,2H3,(H,12,13).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(2-methylprop-2-enyl)propanamide?
3-(2,2-difluoroethoxy)-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 207.22 g/mol, XLogP of 1.35, 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-(2-methylprop-2-enyl)propanamide is sourced from PubChem (CID 103208995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).