(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone

C11H11BrFNO — CID 24709222

IUPAC(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(F)ccc1Br)N1CCCC1
InChIInChI=1S/C11H11BrFNO/c12-10-4-3-8(13)7-9(10)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKeyVLSARSUANLDDJO-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.82
Rot. Bonds1

About (2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone

(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 24709222) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
PubChem CID24709222
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(F)ccc1Br)N1CCCC1
InChIInChI=1S/C11H11BrFNO/c12-10-4-3-8(13)7-9(10)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKeyVLSARSUANLDDJO-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
1-[4-(2-bromo-5-fluorobenzoyl)piperazin-1-yl]ethanone
CID 24692676
(2-bromo-5-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430553
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(2-bromo-5-fluorophenyl)methanone
CID 9225712
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-bromo-5-fluorophenyl)methanone
CID 43407318
(2-bromo-5-iodophenyl)-piperidin-1-ylmethanone
CID 103988956
4-(2-bromo-5-fluorobenzoyl)piperazine-2,6-dione
CID 66083562
4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide
CID 60875632
(2-bromo-5-fluorophenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 115768347
(2-bromo-5-fluorophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 60698518
(2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 62070029
(2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248375

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone (CID 24709222) is (2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone is O=C(c1cc(F)ccc1Br)N1CCCC1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is VLSARSUANLDDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c12-10-4-3-8(13)7-9(10)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2.
What are the key properties of (2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone?
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 272.12 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24709222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).