tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate

C10H18FNO2 — CID 118296593

IUPACtert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate
SMILESC[C@H]1CC(F)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO2/c1-7-5-8(11)6-12(7)9(13)14-10(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8?/m0/s1
InChIKeyVEEUIJVNQJDUKD-JAMMHHFISA-N
MW203.26 g/mol
LogP2.35
Rot. Bonds

About tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate

tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate (PubChem CID 118296593) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate
PubChem CID118296593
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Nametert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate
SMILESC[C@H]1CC(F)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO2/c1-7-5-8(11)6-12(7)9(13)14-10(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8?/m0/s1
InChIKeyVEEUIJVNQJDUKD-JAMMHHFISA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 24903603
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 (2S)-4-deuterio-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 172693001
tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate
CID 170938178
tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate
CID 166040386
tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 129370244
tert-butyl (2R,4S)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate
CID 121403612
tert-butyl 4-fluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 102537964
1-O-tert-butyl 2-O-methyl (4R)-4-fluoropyrrolidine-1,2-dicarboxylate
CID 68725739
tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide
CID 159053694
tert-butyl (2S,4S)-2-carbamothioyl-4-fluoropyrrolidine-1-carboxylate
CID 88899008

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate (CID 118296593) is tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate is C[C@H]1CC(F)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate?
The InChIKey is VEEUIJVNQJDUKD-JAMMHHFISA-N. The full InChI is InChI=1S/C10H18FNO2/c1-7-5-8(11)6-12(7)9(13)14-10(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8?/m0/s1.
What are the key properties of tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate?
tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate has a molecular weight of 203.26 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 118296593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).