8-fluoro-3,4-dihydro-2H-1,4-benzothiazine

C8H8FNS — CID 83816124

IUPAC8-fluoro-3,4-dihydro-2H-1,4-benzothiazine
SMILESFc1cccc2c1SCCN2
InChIInChI=1S/C8H8FNS/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,10H,4-5H2
InChIKeyAYJZJJUIKADLMO-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.34
Rot. Bonds

About 8-fluoro-3,4-dihydro-2H-1,4-benzothiazine

8-fluoro-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 83816124) has the molecular formula C8H8FNS and a molecular weight of 169.22 g/mol. Its IUPAC name is 8-fluoro-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name8-fluoro-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID83816124
Molecular FormulaC8H8FNS
Molecular Weight169.22 g/mol
Exact Mass169.04
IUPAC Name8-fluoro-3,4-dihydro-2H-1,4-benzothiazine
SMILESFc1cccc2c1SCCN2
InChIInChI=1S/C8H8FNS/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,10H,4-5H2
InChIKeyAYJZJJUIKADLMO-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-3,4-dihydro-2H-1,4-benzothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 8-fluoro-3,4-dihydro-2H-1,4-benzothiazine (CID 83816124) is 8-fluoro-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 8-fluoro-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 8-fluoro-3,4-dihydro-2H-1,4-benzothiazine is Fc1cccc2c1SCCN2.
What is the InChIKey of 8-fluoro-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is AYJZJJUIKADLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNS/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,10H,4-5H2.
What are the key properties of 8-fluoro-3,4-dihydro-2H-1,4-benzothiazine?
8-fluoro-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 169.22 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 83816124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).