2-(4-chloro-3-fluorophenyl)-1,3-thiazinane

C10H11ClFNS — CID 66219496

IUPAC2-(4-chloro-3-fluorophenyl)-1,3-thiazinane
SMILESFc1cc(C2NCCCS2)ccc1Cl
InChIInChI=1S/C10H11ClFNS/c11-8-3-2-7(6-9(8)12)10-13-4-1-5-14-10/h2-3,6,10,13H,1,4-5H2
InChIKeyPCWREHGRWFEYAG-UHFFFAOYSA-N
MW231.72 g/mol
LogP3.20
Rot. Bonds1

About 2-(4-chloro-3-fluorophenyl)-1,3-thiazinane

2-(4-chloro-3-fluorophenyl)-1,3-thiazinane (PubChem CID 66219496) has the molecular formula C10H11ClFNS and a molecular weight of 231.72 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1,3-thiazinane.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1,3-thiazinane
PubChem CID66219496
Molecular FormulaC10H11ClFNS
Molecular Weight231.72 g/mol
Exact Mass231.03
IUPAC Name2-(4-chloro-3-fluorophenyl)-1,3-thiazinane
SMILESFc1cc(C2NCCCS2)ccc1Cl
InChIInChI=1S/C10H11ClFNS/c11-8-3-2-7(6-9(8)12)10-13-4-1-5-14-10/h2-3,6,10,13H,1,4-5H2
InChIKeyPCWREHGRWFEYAG-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1,3-thiazinane?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1,3-thiazinane (CID 66219496) is 2-(4-chloro-3-fluorophenyl)-1,3-thiazinane.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1,3-thiazinane?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1,3-thiazinane is Fc1cc(C2NCCCS2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1,3-thiazinane?
The InChIKey is PCWREHGRWFEYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNS/c11-8-3-2-7(6-9(8)12)10-13-4-1-5-14-10/h2-3,6,10,13H,1,4-5H2.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1,3-thiazinane?
2-(4-chloro-3-fluorophenyl)-1,3-thiazinane has a molecular weight of 231.72 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1,3-thiazinane is sourced from PubChem (CID 66219496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).