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

C10H10F9NO2 — CID 22966665

IUPAC3,3,3-trifluoro-N-methyl-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide
SMILESC=CCN(C)C(=O)C(OC(F)(F)CF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F9NO2/c1-3-4-20(2)6(21)8(9(14,15)16,10(17,18)19)22-7(12,13)5-11/h3H,1,4-5H2,2H3
InChIKeyUUDVDISBYNDVOX-UHFFFAOYSA-N
MW347.18 g/mol
LogP3.07
Rot. Bonds6

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

3,3,3-trifluoro-N-methyl-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide (PubChem CID 22966665) has the molecular formula C10H10F9NO2 and a molecular weight of 347.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide
PubChem CID22966665
Molecular FormulaC10H10F9NO2
Molecular Weight347.18 g/mol
Exact Mass347.06
IUPAC Name3,3,3-trifluoro-N-methyl-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide
SMILESC=CCN(C)C(=O)C(OC(F)(F)CF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F9NO2/c1-3-4-20(2)6(21)8(9(14,15)16,10(17,18)19)22-7(12,13)5-11/h3H,1,4-5H2,2H3
InChIKeyUUDVDISBYNDVOX-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-methyl-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide (CID 22966665) is 3,3,3-trifluoro-N-methyl-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide is C=CCN(C)C(=O)C(OC(F)(F)CF)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide?
The InChIKey is UUDVDISBYNDVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F9NO2/c1-3-4-20(2)6(21)8(9(14,15)16,10(17,18)19)22-7(12,13)5-11/h3H,1,4-5H2,2H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-methyl-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide has a molecular weight of 347.18 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 22966665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).