ethyl 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetate

C8H14F3NO4S — CID 54901481

IUPACethyl 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO4S/c1-4-16-7(13)5-12(6(2)3)17(14,15)8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyFZPSGNBAZFSFIW-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.11
Rot. Bonds5

About ethyl 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetate

ethyl 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetate (PubChem CID 54901481) has the molecular formula C8H14F3NO4S and a molecular weight of 277.26 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetate
PubChem CID54901481
Molecular FormulaC8H14F3NO4S
Molecular Weight277.26 g/mol
Exact Mass277.06
IUPAC Nameethyl 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO4S/c1-4-16-7(13)5-12(6(2)3)17(14,15)8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyFZPSGNBAZFSFIW-UHFFFAOYSA-N
XLogP1.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetate (CID 54901481) is ethyl 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetate is CCOC(=O)CN(C(C)C)S(=O)(=O)C(F)(F)F.
What is the InChIKey of ethyl 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetate?
The InChIKey is FZPSGNBAZFSFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO4S/c1-4-16-7(13)5-12(6(2)3)17(14,15)8(9,10)11/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetate?
ethyl 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetate has a molecular weight of 277.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl(trifluoromethylsulfonyl)amino]acetate is sourced from PubChem (CID 54901481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).