N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide

C9H13F2NO2 — CID 103211869

IUPACN-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide
SMILESC#CCCNC(=O)CCOCC(F)F
InChIInChI=1S/C9H13F2NO2/c1-2-3-5-12-9(13)4-6-14-7-8(10)11/h1,8H,3-7H2,(H,12,13)
InChIKeyZAGNEXUTSIJBCZ-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.80
Rot. Bonds7

About N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide

N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103211869) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide
PubChem CID103211869
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC NameN-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide
SMILESC#CCCNC(=O)CCOCC(F)F
InChIInChI=1S/C9H13F2NO2/c1-2-3-5-12-9(13)4-6-14-7-8(10)11/h1,8H,3-7H2,(H,12,13)
InChIKeyZAGNEXUTSIJBCZ-UHFFFAOYSA-N
XLogP0.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide
CID 103211866
3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide
CID 103211673
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103205484
6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid
CID 103205763
N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 107320973
N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106131283
N-(4-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106129994
N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212347
3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 103525105
ethyl 4-[3-(2,2-difluoroethoxy)propanoylamino]butanoate
CID 103209827
N-but-3-ynylhex-5-ynamide
CID 10630847
N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208987

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide (CID 103211869) is N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide is C#CCCNC(=O)CCOCC(F)F.
What is the InChIKey of N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is ZAGNEXUTSIJBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c1-2-3-5-12-9(13)4-6-14-7-8(10)11/h1,8H,3-7H2,(H,12,13).
What are the key properties of N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide?
N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 205.20 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103211869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).