2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane

C11H13BrFNS — CID 81441856

IUPAC2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane
SMILESCC1CCSC(c2ccc(Br)c(F)c2)N1
InChIInChI=1S/C11H13BrFNS/c1-7-4-5-15-11(14-7)8-2-3-9(12)10(13)6-8/h2-3,6-7,11,14H,4-5H2,1H3
InChIKeyLJPAJVDWVDBTPQ-UHFFFAOYSA-N
MW290.20 g/mol
LogP3.70
Rot. Bonds1

About 2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane

2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane (PubChem CID 81441856) has the molecular formula C11H13BrFNS and a molecular weight of 290.20 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane
PubChem CID81441856
Molecular FormulaC11H13BrFNS
Molecular Weight290.20 g/mol
Exact Mass288.99
IUPAC Name2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane
SMILESCC1CCSC(c2ccc(Br)c(F)c2)N1
InChIInChI=1S/C11H13BrFNS/c1-7-4-5-15-11(14-7)8-2-3-9(12)10(13)6-8/h2-3,6-7,11,14H,4-5H2,1H3
InChIKeyLJPAJVDWVDBTPQ-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane (CID 81441856) is 2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane is CC1CCSC(c2ccc(Br)c(F)c2)N1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane?
The InChIKey is LJPAJVDWVDBTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNS/c1-7-4-5-15-11(14-7)8-2-3-9(12)10(13)6-8/h2-3,6-7,11,14H,4-5H2,1H3.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane?
2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane has a molecular weight of 290.20 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane is sourced from PubChem (CID 81441856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).