tert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate

C11H20FNO3 — CID 25001211

IUPACtert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOCC1C(F)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO3/c1-11(2,3)16-10(14)13-6-5-8(12)9(13)7-15-4/h8-9H,5-7H2,1-4H3
InChIKeyUVKUPLRIVGYJPD-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.98
Rot. Bonds2

About tert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate

tert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 25001211) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is tert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID25001211
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Nametert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOCC1C(F)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO3/c1-11(2,3)16-10(14)13-6-5-8(12)9(13)7-15-4/h8-9H,5-7H2,1-4H3
InChIKeyUVKUPLRIVGYJPD-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate (CID 25001211) is tert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate is COCC1C(F)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is UVKUPLRIVGYJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-11(2,3)16-10(14)13-6-5-8(12)9(13)7-15-4/h8-9H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 233.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 25001211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).