1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one

C24H42F2N2O4 — CID 170277529

IUPAC1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)N1CC(F)C(C(C)(C)COC(C)(C)C(=O)N2CC(F)C(C(C)(C)C)C2)C1
InChIInChI=1S/C24H42F2N2O4/c1-21(2,3)15-10-28(12-17(15)25)20(30)24(8,9)32-14-22(4,5)16-11-27(13-18(16)26)19(29)23(6,7)31/h15-18,31H,10-14H2,1-9H3
InChIKeyOCJBSNMURZTOPG-UHFFFAOYSA-N
MW460.61 g/mol
LogP3.22
Rot. Bonds6

About 1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one

1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 170277529) has the molecular formula C24H42F2N2O4 and a molecular weight of 460.61 g/mol. Its IUPAC name is 1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one
PubChem CID170277529
Molecular FormulaC24H42F2N2O4
Molecular Weight460.61 g/mol
Exact Mass460.31
IUPAC Name1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)N1CC(F)C(C(C)(C)COC(C)(C)C(=O)N2CC(F)C(C(C)(C)C)C2)C1
InChIInChI=1S/C24H42F2N2O4/c1-21(2,3)15-10-28(12-17(15)25)20(30)24(8,9)32-14-22(4,5)16-11-27(13-18(16)26)19(29)23(6,7)31/h15-18,31H,10-14H2,1-9H3
InChIKeyOCJBSNMURZTOPG-UHFFFAOYSA-N
XLogP3.22
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.61
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one (CID 170277529) is 1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one is CC(C)(O)C(=O)N1CC(F)C(C(C)(C)COC(C)(C)C(=O)N2CC(F)C(C(C)(C)C)C2)C1.
What is the InChIKey of 1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The InChIKey is OCJBSNMURZTOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42F2N2O4/c1-21(2,3)15-10-28(12-17(15)25)20(30)24(8,9)32-14-22(4,5)16-11-27(13-18(16)26)19(29)23(6,7)31/h15-18,31H,10-14H2,1-9H3.
What are the key properties of 1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one?
1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 460.61 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[1-(3-tert-butyl-4-fluoropyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxy-2-methylpropan-2-yl]-4-fluoropyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 170277529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).