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

C8H11F2NO2 — CID 103211866

IUPAC3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCOCC(F)F
InChIInChI=1S/C8H11F2NO2/c1-2-4-11-8(12)3-5-13-6-7(9)10/h1,7H,3-6H2,(H,11,12)
InChIKeyATWITBMFQLPWTD-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.41
Rot. Bonds6

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

3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide (PubChem CID 103211866) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide
PubChem CID103211866
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCOCC(F)F
InChIInChI=1S/C8H11F2NO2/c1-2-4-11-8(12)3-5-13-6-7(9)10/h1,7H,3-6H2,(H,11,12)
InChIKeyATWITBMFQLPWTD-UHFFFAOYSA-N
XLogP0.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.41
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

N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide
CID 103211869
N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212347
3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 103525105
N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208987
3-(2,2-difluoroethoxy)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide
CID 103209084
methyl 2-bromo-3-[3-(2,2-difluoroethoxy)propanoylamino]propanoate
CID 103492443
N-(2-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212738
N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106131283
N-(4-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106129994
2-[3-(2,2-difluoroethoxy)propanoylamino]propanoic acid
CID 103205780
2-[[3-(2,2-difluoroethoxy)propanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473822
ethyl 4-[3-(2,2-difluoroethoxy)propanoylamino]butanoate
CID 103209827

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide (CID 103211866) is 3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide is C#CCNC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide?
The InChIKey is ATWITBMFQLPWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2/c1-2-4-11-8(12)3-5-13-6-7(9)10/h1,7H,3-6H2,(H,11,12).
What are the key properties of 3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide?
3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide has a molecular weight of 191.18 g/mol, XLogP of 0.41, 6 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-ynylpropanamide is sourced from PubChem (CID 103211866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).