(4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone

C11H11BrFNO2 — CID 62918089

IUPAC(4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1F)N1CCC(O)C1
InChIInChI=1S/C11H11BrFNO2/c12-7-1-2-9(10(13)5-7)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6H2
InChIKeyULTGUTKQOQDLHZ-UHFFFAOYSA-N
MW288.12 g/mol
LogP1.79
Rot. Bonds1

About (4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone

(4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 62918089) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID62918089
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name(4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1F)N1CCC(O)C1
InChIInChI=1S/C11H11BrFNO2/c12-7-1-2-9(10(13)5-7)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6H2
InChIKeyULTGUTKQOQDLHZ-UHFFFAOYSA-N
XLogP1.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(4-bromo-2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 94917320
(4-amino-3-methylpiperidin-1-yl)-(4-bromo-2-fluorophenyl)methanone
CID 79879444
(5-bromo-2-iodophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029701
N-[1-(4-bromo-2-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 113402341
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
(4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 60954864
(4-bromo-2-fluorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 55215467
(4-bromo-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43630039
(3-bromo-4-fluorophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922611
(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917475
(3-fluoro-4-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291522
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 62918089) is (4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone is O=C(c1ccc(Br)cc1F)N1CCC(O)C1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is ULTGUTKQOQDLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-7-1-2-9(10(13)5-7)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6H2.
What are the key properties of (4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
(4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 288.12 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 62918089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).