10-fluorobenzo[b][1,4]benzothiazepine

C13H8FNS — CID 155677402

IUPAC10-fluorobenzo[b][1,4]benzothiazepine
SMILESFc1cccc2c1Sc1ccccc1N=C2
InChIInChI=1S/C13H8FNS/c14-10-5-3-4-9-8-15-11-6-1-2-7-12(11)16-13(9)10/h1-8H
InChIKeyQVEDBNZLXJPMOR-UHFFFAOYSA-N
MW229.28 g/mol
LogP4.04
Rot. Bonds

About 10-fluorobenzo[b][1,4]benzothiazepine

10-fluorobenzo[b][1,4]benzothiazepine (PubChem CID 155677402) has the molecular formula C13H8FNS and a molecular weight of 229.28 g/mol. Its IUPAC name is 10-fluorobenzo[b][1,4]benzothiazepine.

Molecular Properties

Compound Name10-fluorobenzo[b][1,4]benzothiazepine
PubChem CID155677402
Molecular FormulaC13H8FNS
Molecular Weight229.28 g/mol
Exact Mass229.04
IUPAC Name10-fluorobenzo[b][1,4]benzothiazepine
SMILESFc1cccc2c1Sc1ccccc1N=C2
InChIInChI=1S/C13H8FNS/c14-10-5-3-4-9-8-15-11-6-1-2-7-12(11)16-13(9)10/h1-8H
InChIKeyQVEDBNZLXJPMOR-UHFFFAOYSA-N
XLogP4.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-fluorobenzo[b][1,4]benzothiazepine?
The IUPAC name of 10-fluorobenzo[b][1,4]benzothiazepine (CID 155677402) is 10-fluorobenzo[b][1,4]benzothiazepine.
What is the SMILES notation for 10-fluorobenzo[b][1,4]benzothiazepine?
The canonical SMILES for 10-fluorobenzo[b][1,4]benzothiazepine is Fc1cccc2c1Sc1ccccc1N=C2.
What is the InChIKey of 10-fluorobenzo[b][1,4]benzothiazepine?
The InChIKey is QVEDBNZLXJPMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNS/c14-10-5-3-4-9-8-15-11-6-1-2-7-12(11)16-13(9)10/h1-8H.
What are the key properties of 10-fluorobenzo[b][1,4]benzothiazepine?
10-fluorobenzo[b][1,4]benzothiazepine has a molecular weight of 229.28 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluorobenzo[b][1,4]benzothiazepine is sourced from PubChem (CID 155677402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).