2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane

C11H13ClFNS — CID 114859868

IUPAC2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane
SMILESCC1CNC(c2cc(Cl)ccc2F)SC1
InChIInChI=1S/C11H13ClFNS/c1-7-5-14-11(15-6-7)9-4-8(12)2-3-10(9)13/h2-4,7,11,14H,5-6H2,1H3
InChIKeyGQSJUULONYDRFI-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.45
Rot. Bonds1

About 2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane

2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane (PubChem CID 114859868) has the molecular formula C11H13ClFNS and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane
PubChem CID114859868
Molecular FormulaC11H13ClFNS
Molecular Weight245.75 g/mol
Exact Mass245.04
IUPAC Name2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane
SMILESCC1CNC(c2cc(Cl)ccc2F)SC1
InChIInChI=1S/C11H13ClFNS/c1-7-5-14-11(15-6-7)9-4-8(12)2-3-10(9)13/h2-4,7,11,14H,5-6H2,1H3
InChIKeyGQSJUULONYDRFI-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane (CID 114859868) is 2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane is CC1CNC(c2cc(Cl)ccc2F)SC1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane?
The InChIKey is GQSJUULONYDRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNS/c1-7-5-14-11(15-6-7)9-4-8(12)2-3-10(9)13/h2-4,7,11,14H,5-6H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane?
2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane has a molecular weight of 245.75 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane is sourced from PubChem (CID 114859868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).