tert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate

C13H24F3NO3 — CID 129013061

IUPACtert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate
SMILESCN(CCOC(C)(C)C(F)(F)F)CC(=O)OC(C)(C)C
InChIInChI=1S/C13H24F3NO3/c1-11(2,3)20-10(18)9-17(6)7-8-19-12(4,5)13(14,15)16/h7-9H2,1-6H3
InChIKeyOISCPUNLRHMAJP-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.62
Rot. Bonds6

About tert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate

tert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate (PubChem CID 129013061) has the molecular formula C13H24F3NO3 and a molecular weight of 299.33 g/mol. Its IUPAC name is tert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate
PubChem CID129013061
Molecular FormulaC13H24F3NO3
Molecular Weight299.33 g/mol
Exact Mass299.17
IUPAC Nametert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate
SMILESCN(CCOC(C)(C)C(F)(F)F)CC(=O)OC(C)(C)C
InChIInChI=1S/C13H24F3NO3/c1-11(2,3)20-10(18)9-17(6)7-8-19-12(4,5)13(14,15)16/h7-9H2,1-6H3
InChIKeyOISCPUNLRHMAJP-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Glycine, N-ethyl-N-(trifluoroacetyl)-, 1-methylpropyl ester, (S)-
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N-Ethyl-N-(2,2,2-trifluoroethyl)glycine 1-methylbutyl ester
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2,2-Difluoropropyl 2-morpholin-4-ylacetate
CID 58341548
2-(Dibutylamino)ethyl 2,2,2-trifluoroacetate
CID 59204033
2-(Dipropylamino)ethyl 2,2,2-trifluoroacetate
CID 59204089
tert-butyl 2-(2,2,2-trifluoro-N-methylacetamido)acetate
CID 88580260
2,2-Difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate
CID 118029370
1,1,1,3,3-Pentafluorobutan-2-yl 2-(diethylamino)acetate
CID 118029371
2-[2-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl-methylamino]acetic acid
CID 126611650

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate?
The IUPAC name of tert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate (CID 129013061) is tert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate is CN(CCOC(C)(C)C(F)(F)F)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate?
The InChIKey is OISCPUNLRHMAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO3/c1-11(2,3)20-10(18)9-17(6)7-8-19-12(4,5)13(14,15)16/h7-9H2,1-6H3.
What are the key properties of tert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate?
tert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate has a molecular weight of 299.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate is sourced from PubChem (CID 129013061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).