1-(3-fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone

C10H19FN2O2 — CID 141136117

IUPAC1-(3-fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone
SMILESCC(C)(CO)NCC(=O)N1CCC(F)C1
InChIInChI=1S/C10H19FN2O2/c1-10(2,7-14)12-5-9(15)13-4-3-8(11)6-13/h8,12,14H,3-7H2,1-2H3
InChIKeyTXKJVXUQUYUBIU-UHFFFAOYSA-N
MW218.27 g/mol
LogP-0.08
Rot. Bonds4

About 1-(3-fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone

1-(3-fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone (PubChem CID 141136117) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 1-(3-fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone
PubChem CID141136117
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name1-(3-fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone
SMILESCC(C)(CO)NCC(=O)N1CCC(F)C1
InChIInChI=1S/C10H19FN2O2/c1-10(2,7-14)12-5-9(15)13-4-3-8(11)6-13/h8,12,14H,3-7H2,1-2H3
InChIKeyTXKJVXUQUYUBIU-UHFFFAOYSA-N
XLogP-0.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone?
The IUPAC name of 1-(3-fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone (CID 141136117) is 1-(3-fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(3-fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone?
The canonical SMILES for 1-(3-fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone is CC(C)(CO)NCC(=O)N1CCC(F)C1.
What is the InChIKey of 1-(3-fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone?
The InChIKey is TXKJVXUQUYUBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-10(2,7-14)12-5-9(15)13-4-3-8(11)6-13/h8,12,14H,3-7H2,1-2H3.
What are the key properties of 1-(3-fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone?
1-(3-fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone has a molecular weight of 218.27 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropyrrolidin-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone is sourced from PubChem (CID 141136117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).