2,3,3-trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate

C8H7F6NO3 — CID 139567573

IUPAC2,3,3-trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
SMILESCN(CC(F)(F)F)C(=O)C(=O)OCC(F)=C(F)F
InChIInChI=1S/C8H7F6NO3/c1-15(3-8(12,13)14)6(16)7(17)18-2-4(9)5(10)11/h2-3H2,1H3
InChIKeyJBSBLUHFNZFQMI-UHFFFAOYSA-N
MW279.14 g/mol
LogP1.63
Rot. Bonds3

About 2,3,3-trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate

2,3,3-trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate (PubChem CID 139567573) has the molecular formula C8H7F6NO3 and a molecular weight of 279.14 g/mol. Its IUPAC name is 2,3,3-trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate.

Molecular Properties

Compound Name2,3,3-trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
PubChem CID139567573
Molecular FormulaC8H7F6NO3
Molecular Weight279.14 g/mol
Exact Mass279.03
IUPAC Name2,3,3-trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
SMILESCN(CC(F)(F)F)C(=O)C(=O)OCC(F)=C(F)F
InChIInChI=1S/C8H7F6NO3/c1-15(3-8(12,13)14)6(16)7(17)18-2-4(9)5(10)11/h2-3H2,1H3
InChIKeyJBSBLUHFNZFQMI-UHFFFAOYSA-N
XLogP1.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-Difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate
CID 139567528
3,3-Difluoroprop-2-enyl 2-morpholin-4-yl-2-oxoacetate
CID 139567529
3,3-Difluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
CID 139567530
3,3-Difluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate
CID 139567531
[(E)-2,3,4,4,4-pentafluorobut-2-enyl] 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567532
[(E)-2,3,4,4,4-pentafluorobut-2-enyl] 2-[bis(cyanomethyl)amino]-2-oxoacetate
CID 139567533
3,3-Difluoroprop-2-enyl 2-(diethylamino)-2-oxoacetate
CID 139567534
3,3-Difluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate
CID 139567535
3,3-Difluoroprop-2-enyl 2-[bis(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567541
4,4,4-Trifluorobut-2-ynyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567543
2-Fluoroprop-2-enyl 2-(diethylamino)-2-oxoacetate
CID 139567561
2-Fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567570

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate?
The IUPAC name of 2,3,3-trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate (CID 139567573) is 2,3,3-trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate.
What is the SMILES notation for 2,3,3-trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate?
The canonical SMILES for 2,3,3-trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate is CN(CC(F)(F)F)C(=O)C(=O)OCC(F)=C(F)F.
What is the InChIKey of 2,3,3-trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate?
The InChIKey is JBSBLUHFNZFQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6NO3/c1-15(3-8(12,13)14)6(16)7(17)18-2-4(9)5(10)11/h2-3H2,1H3.
What are the key properties of 2,3,3-trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate?
2,3,3-trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate has a molecular weight of 279.14 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate is sourced from PubChem (CID 139567573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).