3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide

C9H8F9NO2 — CID 20593125

IUPAC3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide
SMILESC=CCNC(=O)C(OC(F)(F)CF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F9NO2/c1-2-3-19-5(20)7(8(13,14)15,9(16,17)18)21-6(11,12)4-10/h2H,1,3-4H2,(H,19,20)
InChIKeyPDWYXPIBAADYTM-UHFFFAOYSA-N
MW333.15 g/mol
LogP2.73
Rot. Bonds6

About 3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide (PubChem CID 20593125) has the molecular formula C9H8F9NO2 and a molecular weight of 333.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide
PubChem CID20593125
Molecular FormulaC9H8F9NO2
Molecular Weight333.15 g/mol
Exact Mass333.04
IUPAC Name3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide
SMILESC=CCNC(=O)C(OC(F)(F)CF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F9NO2/c1-2-3-19-5(20)7(8(13,14)15,9(16,17)18)21-6(11,12)4-10/h2H,1,3-4H2,(H,19,20)
InChIKeyPDWYXPIBAADYTM-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.15
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Allylperfluoro-2-propoxypropanamide
CID 71672266
N-Allylperfluoro-2-(2-propoxypropoxy)propanamide
CID 14204129
3,3,3-trifluoro-N-methyl-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide
CID 22966665
N-allylperfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanamide
CID 53714462
2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoropropoxy)-N-prop-2-enylpropanamide
CID 53796591
2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide
CID 58057340
2-methyl-N-[3-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]propyl]prop-2-enamide
CID 58937557
[1,1,1,2-Tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite
CID 166497913
2,2-difluoro-N-prop-2-enyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetamide
CID 172092844
N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 86985433
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-N-prop-2-enylpropanamide
CID 102005233
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylpropanamide
CID 162802078

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide (CID 20593125) is 3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide is C=CCNC(=O)C(OC(F)(F)CF)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide?
The InChIKey is PDWYXPIBAADYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F9NO2/c1-2-3-19-5(20)7(8(13,14)15,9(16,17)18)21-6(11,12)4-10/h2H,1,3-4H2,(H,19,20).
What are the key properties of 3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide has a molecular weight of 333.15 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 20593125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).