tert-butyl (2R)-2-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxylate

C16H22FNO2 — CID 139048918

IUPACtert-butyl (2R)-2-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@]1(C)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-15(2,3)20-14(19)18-11-5-10-16(18,4)12-6-8-13(17)9-7-12/h6-9H,5,10-11H2,1-4H3/t16-/m1/s1
InChIKeyKWBIGZSVYZUGGA-MRXNPFEDSA-N
MW279.36 g/mol
LogP4.07
Rot. Bonds1

About tert-butyl (2R)-2-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxylate

tert-butyl (2R)-2-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxylate (PubChem CID 139048918) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxylate
PubChem CID139048918
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Nametert-butyl (2R)-2-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@]1(C)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-15(2,3)20-14(19)18-11-5-10-16(18,4)12-6-8-13(17)9-7-12/h6-9H,5,10-11H2,1-4H3/t16-/m1/s1
InChIKeyKWBIGZSVYZUGGA-MRXNPFEDSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxylate (CID 139048918) is tert-butyl (2R)-2-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@]1(C)c1ccc(F)cc1.
What is the InChIKey of tert-butyl (2R)-2-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxylate?
The InChIKey is KWBIGZSVYZUGGA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-15(2,3)20-14(19)18-11-5-10-16(18,4)12-6-8-13(17)9-7-12/h6-9H,5,10-11H2,1-4H3/t16-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxylate has a molecular weight of 279.36 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 139048918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).