2-ethoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide

C8H11F5N2O3 — CID 89328849

IUPAC2-ethoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
SMILESCCOC(C(N)=O)C(=O)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F5N2O3/c1-2-18-4(5(14)16)6(17)15-3-7(9,10)8(11,12)13/h4H,2-3H2,1H3,(H2,14,16)(H,15,17)
InChIKeyRBTFKQXHPRQZIO-UHFFFAOYSA-N
MW278.18 g/mol
LogP0.19
Rot. Bonds6

About 2-ethoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide

2-ethoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide (PubChem CID 89328849) has the molecular formula C8H11F5N2O3 and a molecular weight of 278.18 g/mol. Its IUPAC name is 2-ethoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide.

Molecular Properties

Compound Name2-ethoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
PubChem CID89328849
Molecular FormulaC8H11F5N2O3
Molecular Weight278.18 g/mol
Exact Mass278.07
IUPAC Name2-ethoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
SMILESCCOC(C(N)=O)C(=O)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F5N2O3/c1-2-18-4(5(14)16)6(17)15-3-7(9,10)8(11,12)13/h4H,2-3H2,1H3,(H2,14,16)(H,15,17)
InChIKeyRBTFKQXHPRQZIO-UHFFFAOYSA-N
XLogP0.19
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031323
N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031333
2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide
CID 47031355
3-amino-N-(1,1-difluoro-2-propan-2-yloxyethyl)propanamide
CID 57700556
2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 57832481
2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide
CID 59157492
CID 60102362
CID 60102362
N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide
CID 61736280
N-methyl-4-(2,2,2-trifluoroethyl)morpholine-2-carboxamide
CID 75501672
N,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide
CID 86245682
2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
CID 89245063
2,3,3,3-tetrafluoro-N-[2-[2-[[2-fluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoyl]amino]ethoxy]ethyl]-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propanamide
CID 132175646

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide?
The IUPAC name of 2-ethoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide (CID 89328849) is 2-ethoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide.
What is the SMILES notation for 2-ethoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide?
The canonical SMILES for 2-ethoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide is CCOC(C(N)=O)C(=O)NCC(F)(F)C(F)(F)F.
What is the InChIKey of 2-ethoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide?
The InChIKey is RBTFKQXHPRQZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5N2O3/c1-2-18-4(5(14)16)6(17)15-3-7(9,10)8(11,12)13/h4H,2-3H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-ethoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide?
2-ethoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide has a molecular weight of 278.18 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide is sourced from PubChem (CID 89328849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).