(4-bromo-2-fluorophenyl)-thiomorpholin-4-ylmethanone

C11H11BrFNOS — CID 28787555

IUPAC(4-bromo-2-fluorophenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccc(Br)cc1F)N1CCSCC1
InChIInChI=1S/C11H11BrFNOS/c12-8-1-2-9(10(13)7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKeyXPWKIKUYOLHEMK-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.78
Rot. Bonds1

About (4-bromo-2-fluorophenyl)-thiomorpholin-4-ylmethanone

(4-bromo-2-fluorophenyl)-thiomorpholin-4-ylmethanone (PubChem CID 28787555) has the molecular formula C11H11BrFNOS and a molecular weight of 304.18 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-thiomorpholin-4-ylmethanone
PubChem CID28787555
Molecular FormulaC11H11BrFNOS
Molecular Weight304.18 g/mol
Exact Mass302.97
IUPAC Name(4-bromo-2-fluorophenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccc(Br)cc1F)N1CCSCC1
InChIInChI=1S/C11H11BrFNOS/c12-8-1-2-9(10(13)7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKeyXPWKIKUYOLHEMK-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-thiomorpholin-4-ylmethanone (CID 28787555) is (4-bromo-2-fluorophenyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-thiomorpholin-4-ylmethanone is O=C(c1ccc(Br)cc1F)N1CCSCC1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-thiomorpholin-4-ylmethanone?
The InChIKey is XPWKIKUYOLHEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNOS/c12-8-1-2-9(10(13)7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2.
What are the key properties of (4-bromo-2-fluorophenyl)-thiomorpholin-4-ylmethanone?
(4-bromo-2-fluorophenyl)-thiomorpholin-4-ylmethanone has a molecular weight of 304.18 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 28787555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).