7,8-difluoro-3,4-dihydro-2H-1,4-benzothiazine

C8H7F2NS — CID 22632958

IUPAC7,8-difluoro-3,4-dihydro-2H-1,4-benzothiazine
SMILESFc1ccc2c(c1F)SCCN2
InChIInChI=1S/C8H7F2NS/c9-5-1-2-6-8(7(5)10)12-4-3-11-6/h1-2,11H,3-4H2
InChIKeyVHZOBKVHKKEZHC-UHFFFAOYSA-N
MW187.21 g/mol
LogP2.48
Rot. Bonds

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

7,8-difluoro-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 22632958) has the molecular formula C8H7F2NS and a molecular weight of 187.21 g/mol. Its IUPAC name is 7,8-difluoro-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name7,8-difluoro-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID22632958
Molecular FormulaC8H7F2NS
Molecular Weight187.21 g/mol
Exact Mass187.03
IUPAC Name7,8-difluoro-3,4-dihydro-2H-1,4-benzothiazine
SMILESFc1ccc2c(c1F)SCCN2
InChIInChI=1S/C8H7F2NS/c9-5-1-2-6-8(7(5)10)12-4-3-11-6/h1-2,11H,3-4H2
InChIKeyVHZOBKVHKKEZHC-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 7,8-difluoro-3,4-dihydro-2H-1,4-benzothiazine (CID 22632958) is 7,8-difluoro-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 7,8-difluoro-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 7,8-difluoro-3,4-dihydro-2H-1,4-benzothiazine is Fc1ccc2c(c1F)SCCN2.
What is the InChIKey of 7,8-difluoro-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is VHZOBKVHKKEZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NS/c9-5-1-2-6-8(7(5)10)12-4-3-11-6/h1-2,11H,3-4H2.
What are the key properties of 7,8-difluoro-3,4-dihydro-2H-1,4-benzothiazine?
7,8-difluoro-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 187.21 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 22632958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).