tert-butyl N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]carbamate

C11H17F3N2O3 — CID 59717697

IUPACtert-butyl N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-10(2,3)19-9(18)15-7-4-5-16(6-7)8(17)11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)/t7-/m1/s1
InChIKeyFJAOXMCSYYGOHT-SSDOTTSWSA-N
MW282.26 g/mol
LogP1.67
Rot. Bonds1

About tert-butyl N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]carbamate (PubChem CID 59717697) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]carbamate
PubChem CID59717697
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Nametert-butyl N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-10(2,3)19-9(18)15-7-4-5-16(6-7)8(17)11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)/t7-/m1/s1
InChIKeyFJAOXMCSYYGOHT-SSDOTTSWSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]carbamate (CID 59717697) is tert-butyl N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]carbamate?
The InChIKey is FJAOXMCSYYGOHT-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-10(2,3)19-9(18)15-7-4-5-16(6-7)8(17)11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]carbamate has a molecular weight of 282.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 59717697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).