tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate

C11H20FNO3 — CID 25001212

IUPACtert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOCC1CC(F)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO3/c1-11(2,3)16-10(14)13-6-8(12)5-9(13)7-15-4/h8-9H,5-7H2,1-4H3
InChIKeyCRKOJQBKCSWMBG-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.98
Rot. Bonds2

About tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate

tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 25001212) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID25001212
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Nametert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOCC1CC(F)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO3/c1-11(2,3)16-10(14)13-6-8(12)5-9(13)7-15-4/h8-9H,5-7H2,1-4H3
InChIKeyCRKOJQBKCSWMBG-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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Related Compounds

tert-butyl (2R,4S)-4-bromo-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 155904962
tert-butyl 4-fluoro-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
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tert-butyl (4S)-4-fluoro-2-formylpyrrolidine-1-carboxylate
CID 154003917
tert-butyl (2R,4S)-4-fluoro-2-formylpyrrolidine-1-carboxylate
CID 86614993
tert-butyl 4-(hydroxymethyl)-2-(methoxymethyl)piperidine-1-carboxylate
CID 172691809
tert-butyl 2-(methoxymethyl)-4-methylsulfinyloxypyrrolidine-1-carboxylate
CID 67033711
tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate
CID 118296593
1-O-tert-butyl 2-O-methyl (4R)-4-fluoropyrrolidine-1,2-dicarboxylate
CID 68725739
tert-butyl (2S,4S)-4-fluoro-2-[[(4-methoxycarbonylcyclohexyl)amino]methyl]pyrrolidine-1-carboxylate
CID 58778460
(4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 24903603
tert-butyl (2S,4R)-2-(aminooxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 164852122
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate (CID 25001212) is tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate is COCC1CC(F)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is CRKOJQBKCSWMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-11(2,3)16-10(14)13-6-8(12)5-9(13)7-15-4/h8-9H,5-7H2,1-4H3.
What are the key properties of tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl 4-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 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 25001212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).