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

C8H12ClF2NO2 — CID 103208987

IUPACN-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide
SMILESC=C(Cl)CNC(=O)CCOCC(F)F
InChIInChI=1S/C8H12ClF2NO2/c1-6(9)4-12-8(13)2-3-14-5-7(10)11/h7H,1-5H2,(H,12,13)
InChIKeyOEGKEULXCLBBPC-UHFFFAOYSA-N
MW227.64 g/mol
LogP1.53
Rot. Bonds7

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

N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208987) has the molecular formula C8H12ClF2NO2 and a molecular weight of 227.64 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208987
Molecular FormulaC8H12ClF2NO2
Molecular Weight227.64 g/mol
Exact Mass227.05
IUPAC NameN-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide
SMILESC=C(Cl)CNC(=O)CCOCC(F)F
InChIInChI=1S/C8H12ClF2NO2/c1-6(9)4-12-8(13)2-3-14-5-7(10)11/h7H,1-5H2,(H,12,13)
InChIKeyOEGKEULXCLBBPC-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.64
LogP ≤ 51.53
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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Related Compounds

3-(2,2-difluoroethoxy)propanoyl chloride
CID 103208649
3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide
CID 103211866
N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212347
6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid
CID 103205763
N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 107320973
N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide
CID 103211869
N-(4-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106129994
3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide
CID 103211673
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103205484
3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 103525105
N-[[3-(chloromethyl)phenyl]methyl]-3-(2,2-difluoroethoxy)propanamide
CID 103212385
3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 103526832

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide (CID 103208987) is N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide is C=C(Cl)CNC(=O)CCOCC(F)F.
What is the InChIKey of N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is OEGKEULXCLBBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF2NO2/c1-6(9)4-12-8(13)2-3-14-5-7(10)11/h7H,1-5H2,(H,12,13).
What are the key properties of N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide?
N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 227.64 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).