tert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate

C19H27F2NO3 — CID 142335514

IUPACtert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O)CC1(c1cc(F)ccc1F)C(C)(C)C
InChIInChI=1S/C19H27F2NO3/c1-17(2,3)19(14-9-12(20)7-8-15(14)21)10-13(23)11-22(19)16(24)25-18(4,5)6/h7-9,13,23H,10-11H2,1-6H3/t13-,19?/m1/s1
InChIKeyYVUPJFNEXWUTLN-BSOCMFCZSA-N
MW355.43 g/mol
LogP4.21
Rot. Bonds1

About tert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate

tert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 142335514) has the molecular formula C19H27F2NO3 and a molecular weight of 355.43 g/mol. Its IUPAC name is tert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate
PubChem CID142335514
Molecular FormulaC19H27F2NO3
Molecular Weight355.43 g/mol
Exact Mass355.20
IUPAC Nametert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O)CC1(c1cc(F)ccc1F)C(C)(C)C
InChIInChI=1S/C19H27F2NO3/c1-17(2,3)19(14-9-12(20)7-8-15(14)21)10-13(23)11-22(19)16(24)25-18(4,5)6/h7-9,13,23H,10-11H2,1-6H3/t13-,19?/m1/s1
InChIKeyYVUPJFNEXWUTLN-BSOCMFCZSA-N
XLogP4.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate (CID 142335514) is tert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O)CC1(c1cc(F)ccc1F)C(C)(C)C.
What is the InChIKey of tert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is YVUPJFNEXWUTLN-BSOCMFCZSA-N. The full InChI is InChI=1S/C19H27F2NO3/c1-17(2,3)19(14-9-12(20)7-8-15(14)21)10-13(23)11-22(19)16(24)25-18(4,5)6/h7-9,13,23H,10-11H2,1-6H3/t13-,19?/m1/s1.
What are the key properties of tert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate?
tert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 355.43 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-2-tert-butyl-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 142335514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).