tert-butyl (2S)-2-(2-fluoroethyl)-5-oxopyrrolidine-1-carboxylate

C11H18FNO3 — CID 66749651

IUPACtert-butyl (2S)-2-(2-fluoroethyl)-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1CCF
InChIInChI=1S/C11H18FNO3/c1-11(2,3)16-10(15)13-8(6-7-12)4-5-9(13)14/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyCQFRBBOMLJXMPD-QMMMGPOBSA-N
MW231.27 g/mol
LogP2.27
Rot. Bonds2

About tert-butyl (2S)-2-(2-fluoroethyl)-5-oxopyrrolidine-1-carboxylate

tert-butyl (2S)-2-(2-fluoroethyl)-5-oxopyrrolidine-1-carboxylate (PubChem CID 66749651) has the molecular formula C11H18FNO3 and a molecular weight of 231.27 g/mol. Its IUPAC name is tert-butyl (2S)-2-(2-fluoroethyl)-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(2-fluoroethyl)-5-oxopyrrolidine-1-carboxylate
PubChem CID66749651
Molecular FormulaC11H18FNO3
Molecular Weight231.27 g/mol
Exact Mass231.13
IUPAC Nametert-butyl (2S)-2-(2-fluoroethyl)-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1CCF
InChIInChI=1S/C11H18FNO3/c1-11(2,3)16-10(15)13-8(6-7-12)4-5-9(13)14/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyCQFRBBOMLJXMPD-QMMMGPOBSA-N
XLogP2.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(2-fluoroethyl)-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(2-fluoroethyl)-5-oxopyrrolidine-1-carboxylate (CID 66749651) is tert-butyl (2S)-2-(2-fluoroethyl)-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(2-fluoroethyl)-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(2-fluoroethyl)-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC[C@H]1CCF.
What is the InChIKey of tert-butyl (2S)-2-(2-fluoroethyl)-5-oxopyrrolidine-1-carboxylate?
The InChIKey is CQFRBBOMLJXMPD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18FNO3/c1-11(2,3)16-10(15)13-8(6-7-12)4-5-9(13)14/h8H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(2-fluoroethyl)-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(2-fluoroethyl)-5-oxopyrrolidine-1-carboxylate has a molecular weight of 231.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(2-fluoroethyl)-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 66749651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).