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

C10H18FNO2 — CID 67445443

IUPACtert-butyl (2R,4S)-4-fluoro-2-methylpyrrolidine-1-carboxylate
SMILESC[C@@H]1C[C@H](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+/m1/s1
InChIKeyVEEUIJVNQJDUKD-SFYZADRCSA-N
MW203.26 g/mol
LogP2.35
Rot. Bonds

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

tert-butyl (2R,4S)-4-fluoro-2-methylpyrrolidine-1-carboxylate (PubChem CID 67445443) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-fluoro-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-4-fluoro-2-methylpyrrolidine-1-carboxylate
PubChem CID67445443
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Nametert-butyl (2R,4S)-4-fluoro-2-methylpyrrolidine-1-carboxylate
SMILESC[C@@H]1C[C@H](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+/m1/s1
InChIKeyVEEUIJVNQJDUKD-SFYZADRCSA-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-4-fluoro-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-4-fluoro-2-methylpyrrolidine-1-carboxylate (CID 67445443) is tert-butyl (2R,4S)-4-fluoro-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-4-fluoro-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-4-fluoro-2-methylpyrrolidine-1-carboxylate is C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4S)-4-fluoro-2-methylpyrrolidine-1-carboxylate?
The InChIKey is VEEUIJVNQJDUKD-SFYZADRCSA-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+/m1/s1.
What are the key properties of tert-butyl (2R,4S)-4-fluoro-2-methylpyrrolidine-1-carboxylate?
tert-butyl (2R,4S)-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 (2R,4S)-4-fluoro-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 67445443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).