tert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate

C18H26FNO3 — CID 172862137

IUPACtert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate
SMILESCC(C)C1C(O)CC(c2cccc(F)c2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H26FNO3/c1-11(2)16-15(21)10-14(12-7-6-8-13(19)9-12)20(16)17(22)23-18(3,4)5/h6-9,11,14-16,21H,10H2,1-5H3
InChIKeyZMMOPGAMSUJHGU-UHFFFAOYSA-N
MW323.41 g/mol
LogP3.89
Rot. Bonds2

About tert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate

tert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate (PubChem CID 172862137) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is tert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate
PubChem CID172862137
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Nametert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate
SMILESCC(C)C1C(O)CC(c2cccc(F)c2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H26FNO3/c1-11(2)16-15(21)10-14(12-7-6-8-13(19)9-12)20(16)17(22)23-18(3,4)5/h6-9,11,14-16,21H,10H2,1-5H3
InChIKeyZMMOPGAMSUJHGU-UHFFFAOYSA-N
XLogP3.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate (CID 172862137) is tert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate is CC(C)C1C(O)CC(c2cccc(F)c2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate?
The InChIKey is ZMMOPGAMSUJHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-11(2)16-15(21)10-14(12-7-6-8-13(19)9-12)20(16)17(22)23-18(3,4)5/h6-9,11,14-16,21H,10H2,1-5H3.
What are the key properties of tert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate?
tert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate has a molecular weight of 323.41 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(3-fluorophenyl)-3-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 172862137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).