(2-bromo-4-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C15H13BrFNOS — CID 55388264

IUPAC(2-bromo-4-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1Br)N1CCCC1c1cccs1
InChIInChI=1S/C15H13BrFNOS/c16-12-9-10(17)5-6-11(12)15(19)18-7-1-3-13(18)14-4-2-8-20-14/h2,4-6,8-9,13H,1,3,7H2
InChIKeyLUMWIEWGOPDUEL-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.63
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

(2-bromo-4-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 55388264) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID55388264
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC Name(2-bromo-4-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1Br)N1CCCC1c1cccs1
InChIInChI=1S/C15H13BrFNOS/c16-12-9-10(17)5-6-11(12)15(19)18-7-1-3-13(18)14-4-2-8-20-14/h2,4-6,8-9,13H,1,3,7H2
InChIKeyLUMWIEWGOPDUEL-UHFFFAOYSA-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 (2-bromo-4-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 55388264) is (2-bromo-4-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(F)cc1Br)N1CCCC1c1cccs1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is LUMWIEWGOPDUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c16-12-9-10(17)5-6-11(12)15(19)18-7-1-3-13(18)14-4-2-8-20-14/h2,4-6,8-9,13H,1,3,7H2.
What are the key properties of (2-bromo-4-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
(2-bromo-4-fluorophenyl)-(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 (2-bromo-4-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 55388264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).