(3-bromo-5-fluorophenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

C15H13BrFNOS — CID 51728217

IUPAC(3-bromo-5-fluorophenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cc(F)cc(Br)c1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C15H13BrFNOS/c16-11-7-10(8-12(17)9-11)15(19)18-5-1-3-13(18)14-4-2-6-20-14/h2,4,6-9,13H,1,3,5H2/t13-/m1/s1
InChIKeyFGFXXUZDNLAIDU-CYBMUJFWSA-N
MW354.24 g/mol
LogP4.63
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

(3-bromo-5-fluorophenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (PubChem CID 51728217) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
PubChem CID51728217
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC Name(3-bromo-5-fluorophenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cc(F)cc(Br)c1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C15H13BrFNOS/c16-11-7-10(8-12(17)9-11)15(19)18-5-1-3-13(18)14-4-2-6-20-14/h2,4,6-9,13H,1,3,5H2/t13-/m1/s1
InChIKeyFGFXXUZDNLAIDU-CYBMUJFWSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-bromo-5-fluorophenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (CID 51728217) is (3-bromo-5-fluorophenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-bromo-5-fluorophenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is O=C(c1cc(F)cc(Br)c1)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is FGFXXUZDNLAIDU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c16-11-7-10(8-12(17)9-11)15(19)18-5-1-3-13(18)14-4-2-6-20-14/h2,4,6-9,13H,1,3,5H2/t13-/m1/s1.
What are the key properties of (3-bromo-5-fluorophenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
(3-bromo-5-fluorophenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 354.24 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 51728217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).