tert-butyl (2R)-2-(fluoromethyl)-5-methoxypyrrolidine-1-carboxylate

C11H20FNO3 — CID 71003777

IUPACtert-butyl (2R)-2-(fluoromethyl)-5-methoxypyrrolidine-1-carboxylate
SMILESCOC1CC[C@H](CF)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO3/c1-11(2,3)16-10(14)13-8(7-12)5-6-9(13)15-4/h8-9H,5-7H2,1-4H3/t8-,9?/m1/s1
InChIKeyGDBUPJXALUEIGH-VEDVMXKPSA-N
MW233.28 g/mol
LogP2.33
Rot. Bonds2

About tert-butyl (2R)-2-(fluoromethyl)-5-methoxypyrrolidine-1-carboxylate

tert-butyl (2R)-2-(fluoromethyl)-5-methoxypyrrolidine-1-carboxylate (PubChem CID 71003777) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is tert-butyl (2R)-2-(fluoromethyl)-5-methoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(fluoromethyl)-5-methoxypyrrolidine-1-carboxylate
PubChem CID71003777
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Nametert-butyl (2R)-2-(fluoromethyl)-5-methoxypyrrolidine-1-carboxylate
SMILESCOC1CC[C@H](CF)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO3/c1-11(2,3)16-10(14)13-8(7-12)5-6-9(13)15-4/h8-9H,5-7H2,1-4H3/t8-,9?/m1/s1
InChIKeyGDBUPJXALUEIGH-VEDVMXKPSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(fluoromethyl)-5-methoxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(fluoromethyl)-5-methoxypyrrolidine-1-carboxylate (CID 71003777) is tert-butyl (2R)-2-(fluoromethyl)-5-methoxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(fluoromethyl)-5-methoxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(fluoromethyl)-5-methoxypyrrolidine-1-carboxylate is COC1CC[C@H](CF)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(fluoromethyl)-5-methoxypyrrolidine-1-carboxylate?
The InChIKey is GDBUPJXALUEIGH-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-11(2,3)16-10(14)13-8(7-12)5-6-9(13)15-4/h8-9H,5-7H2,1-4H3/t8-,9?/m1/s1.
What are the key properties of tert-butyl (2R)-2-(fluoromethyl)-5-methoxypyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(fluoromethyl)-5-methoxypyrrolidine-1-carboxylate has a molecular weight of 233.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(fluoromethyl)-5-methoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 71003777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).