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

C8H8FNS — CID 83816126

IUPAC7-fluoro-3,4-dihydro-2H-1,4-benzothiazine
SMILESFc1ccc2c(c1)SCCN2
InChIInChI=1S/C8H8FNS/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2
InChIKeyADNQOSDTWZMIMA-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.34
Rot. Bonds

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

7-fluoro-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 83816126) has the molecular formula C8H8FNS and a molecular weight of 169.22 g/mol. Its IUPAC name is 7-fluoro-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name7-fluoro-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID83816126
Molecular FormulaC8H8FNS
Molecular Weight169.22 g/mol
Exact Mass169.04
IUPAC Name7-fluoro-3,4-dihydro-2H-1,4-benzothiazine
SMILESFc1ccc2c(c1)SCCN2
InChIInChI=1S/C8H8FNS/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2
InChIKeyADNQOSDTWZMIMA-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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 7-fluoro-3,4-dihydro-2H-1,4-benzothiazine (CID 83816126) is 7-fluoro-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 7-fluoro-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 7-fluoro-3,4-dihydro-2H-1,4-benzothiazine is Fc1ccc2c(c1)SCCN2.
What is the InChIKey of 7-fluoro-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is ADNQOSDTWZMIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNS/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2.
What are the key properties of 7-fluoro-3,4-dihydro-2H-1,4-benzothiazine?
7-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 7-fluoro-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 83816126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).