ethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate

C11H19F3N2O2 — CID 81468834

IUPACethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CC(C)N(C)C1
InChIInChI=1S/C11H19F3N2O2/c1-4-18-9(17)10(15-6-11(12,13)14)5-8(2)16(3)7-10/h8,15H,4-7H2,1-3H3
InChIKeyBBNRUOBLHDXZEJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.16
Rot. Bonds4

About ethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate

ethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate (PubChem CID 81468834) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is ethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate
PubChem CID81468834
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Nameethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CC(C)N(C)C1
InChIInChI=1S/C11H19F3N2O2/c1-4-18-9(17)10(15-6-11(12,13)14)5-8(2)16(3)7-10/h8,15H,4-7H2,1-3H3
InChIKeyBBNRUOBLHDXZEJ-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate (CID 81468834) is ethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate is CCOC(=O)C1(NCC(F)(F)F)CC(C)N(C)C1.
What is the InChIKey of ethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate?
The InChIKey is BBNRUOBLHDXZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-4-18-9(17)10(15-6-11(12,13)14)5-8(2)16(3)7-10/h8,15H,4-7H2,1-3H3.
What are the key properties of ethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate?
ethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate has a molecular weight of 268.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylate is sourced from PubChem (CID 81468834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).