tert-butyl N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)carbamate

C11H19F3N2O2 — CID 57109587

IUPACtert-butyl N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC(F)(F)F)C1CCNC1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16(7-11(12,13)14)8-4-5-15-6-8/h8,15H,4-7H2,1-3H3
InChIKeyFRXZENCBDYNJIV-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.15
Rot. Bonds2

About tert-butyl N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)carbamate

tert-butyl N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 57109587) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is tert-butyl N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID57109587
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Nametert-butyl N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC(F)(F)F)C1CCNC1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16(7-11(12,13)14)8-4-5-15-6-8/h8,15H,4-7H2,1-3H3
InChIKeyFRXZENCBDYNJIV-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of tert-butyl N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)carbamate (CID 57109587) is tert-butyl N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for tert-butyl N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for tert-butyl N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)carbamate is CC(C)(C)OC(=O)N(CC(F)(F)F)C1CCNC1.
What is the InChIKey of tert-butyl N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is FRXZENCBDYNJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16(7-11(12,13)14)8-4-5-15-6-8/h8,15H,4-7H2,1-3H3.
What are the key properties of tert-butyl N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)carbamate?
tert-butyl N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 268.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 57109587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).