[2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate

C6H8F3NO3 — CID 174583979

IUPAC[2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCN(C)C(=O)COC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO3/c1-10(2)4(11)3-13-5(12)6(7,8)9/h3H2,1-2H3
InChIKeyMDPUXLLZAKZPCY-UHFFFAOYSA-N
MW199.13 g/mol
LogP0.18
Rot. Bonds2

About [2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate

[2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate (PubChem CID 174583979) has the molecular formula C6H8F3NO3 and a molecular weight of 199.13 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate
PubChem CID174583979
Molecular FormulaC6H8F3NO3
Molecular Weight199.13 g/mol
Exact Mass199.05
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCN(C)C(=O)COC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO3/c1-10(2)4(11)3-13-5(12)6(7,8)9/h3H2,1-2H3
InChIKeyMDPUXLLZAKZPCY-UHFFFAOYSA-N
XLogP0.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,2-trifluoroacetyl)oxyacetate
CID 140610089
aminomethyl 2,2,2-trifluoroacetate
CID 59001854
N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 12636379
2-ethoxyethyl 2,2,2-trifluoroacetate
CID 71672713
[2-(dimethylamino)-2-oxoethyl] 3-aminopropanoate
CID 54051430
2-(2,2-difluoro-3-methylbutoxy)-N,N-dimethylacetamide
CID 122450417
2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 10799452
(2,2-difluoro-2-nitroethyl) 2,2,2-trifluoroacetate
CID 23263184
2-(2,2,2-trifluoroacetyl)oxyethyl 2,2-dimethylpropanoate
CID 90159990
2,2-bis[(2,2,2-trifluoroacetyl)oxymethyl]butyl 2,2,2-trifluoroacetate
CID 91694798
N,N-dimethyl-2-trimethylsilyloxyacetamide
CID 102264799
3,3-difluoro-N,N-dimethylbutanamide
CID 130667654

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate (CID 174583979) is [2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate is CN(C)C(=O)COC(=O)C(F)(F)F.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate?
The InChIKey is MDPUXLLZAKZPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO3/c1-10(2)4(11)3-13-5(12)6(7,8)9/h3H2,1-2H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate?
[2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate has a molecular weight of 199.13 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 174583979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).