8-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzothiazine

C8H7ClFNS — CID 19861727

IUPAC8-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzothiazine
SMILESFc1ccc2c(c1Cl)SCCN2
InChIInChI=1S/C8H7ClFNS/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-2,11H,3-4H2
InChIKeyXCRZLKBHYMIZTK-UHFFFAOYSA-N
MW203.67 g/mol
LogP3.00
Rot. Bonds

About 8-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzothiazine

8-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 19861727) has the molecular formula C8H7ClFNS and a molecular weight of 203.67 g/mol. Its IUPAC name is 8-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name8-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID19861727
Molecular FormulaC8H7ClFNS
Molecular Weight203.67 g/mol
Exact Mass203.00
IUPAC Name8-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzothiazine
SMILESFc1ccc2c(c1Cl)SCCN2
InChIInChI=1S/C8H7ClFNS/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-2,11H,3-4H2
InChIKeyXCRZLKBHYMIZTK-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 8-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzothiazine (CID 19861727) is 8-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 8-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 8-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzothiazine is Fc1ccc2c(c1Cl)SCCN2.
What is the InChIKey of 8-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is XCRZLKBHYMIZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNS/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-2,11H,3-4H2.
What are the key properties of 8-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzothiazine?
8-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 203.67 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 19861727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).