(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone

C11H13FN2O2 — CID 62917475

IUPAC(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESNc1ccc(F)c(C(=O)N2CCC(O)C2)c1
InChIInChI=1S/C11H13FN2O2/c12-10-2-1-7(13)5-9(10)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6,13H2
InChIKeyPUDMJDXBAUTSCM-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.61
Rot. Bonds1

About (5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone

(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 62917475) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is (5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID62917475
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESNc1ccc(F)c(C(=O)N2CCC(O)C2)c1
InChIInChI=1S/C11H13FN2O2/c12-10-2-1-7(13)5-9(10)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6,13H2
InChIKeyPUDMJDXBAUTSCM-UHFFFAOYSA-N
XLogP0.61
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 62917475) is (5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone is Nc1ccc(F)c(C(=O)N2CCC(O)C2)c1.
What is the InChIKey of (5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is PUDMJDXBAUTSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-10-2-1-7(13)5-9(10)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6,13H2.
What are the key properties of (5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 224.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 62917475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).