8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine

C10H12FNS — CID 12850662

IUPAC8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine
SMILESFc1ccc2c(c1)CSCCCN2
InChIInChI=1S/C10H12FNS/c11-9-2-3-10-8(6-9)7-13-5-1-4-12-10/h2-3,6,12H,1,4-5,7H2
InChIKeyOJLZCHGFHNTFIH-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.87
Rot. Bonds

About 8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine

8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine (PubChem CID 12850662) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is 8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine.

Molecular Properties

Compound Name8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine
PubChem CID12850662
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine
SMILESFc1ccc2c(c1)CSCCCN2
InChIInChI=1S/C10H12FNS/c11-9-2-3-10-8(6-9)7-13-5-1-4-12-10/h2-3,6,12H,1,4-5,7H2
InChIKeyOJLZCHGFHNTFIH-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine 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-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine?
The IUPAC name of 8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine (CID 12850662) is 8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine.
What is the SMILES notation for 8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine?
The canonical SMILES for 8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine is Fc1ccc2c(c1)CSCCCN2.
What is the InChIKey of 8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine?
The InChIKey is OJLZCHGFHNTFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c11-9-2-3-10-8(6-9)7-13-5-1-4-12-10/h2-3,6,12H,1,4-5,7H2.
What are the key properties of 8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine?
8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine has a molecular weight of 197.28 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine is sourced from PubChem (CID 12850662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).