8-(trifluoromethyl)benzo[b][1,4]benzothiazepine

C14H8F3NS — CID 139219182

IUPAC8-(trifluoromethyl)benzo[b][1,4]benzothiazepine
SMILESFC(F)(F)c1ccc2c(c1)C=Nc1ccccc1S2
InChIInChI=1S/C14H8F3NS/c15-14(16,17)10-5-6-12-9(7-10)8-18-11-3-1-2-4-13(11)19-12/h1-8H
InChIKeyGOPPCWYCSRHGGL-UHFFFAOYSA-N
MW279.29 g/mol
LogP4.92
Rot. Bonds

About 8-(trifluoromethyl)benzo[b][1,4]benzothiazepine

8-(trifluoromethyl)benzo[b][1,4]benzothiazepine (PubChem CID 139219182) has the molecular formula C14H8F3NS and a molecular weight of 279.29 g/mol. Its IUPAC name is 8-(trifluoromethyl)benzo[b][1,4]benzothiazepine.

Molecular Properties

Compound Name8-(trifluoromethyl)benzo[b][1,4]benzothiazepine
PubChem CID139219182
Molecular FormulaC14H8F3NS
Molecular Weight279.29 g/mol
Exact Mass279.03
IUPAC Name8-(trifluoromethyl)benzo[b][1,4]benzothiazepine
SMILESFC(F)(F)c1ccc2c(c1)C=Nc1ccccc1S2
InChIInChI=1S/C14H8F3NS/c15-14(16,17)10-5-6-12-9(7-10)8-18-11-3-1-2-4-13(11)19-12/h1-8H
InChIKeyGOPPCWYCSRHGGL-UHFFFAOYSA-N
XLogP4.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenzo[B,F][1,4]thiazepine
CID 2302297
11-Methyldibenzo[b,f][1,4]thiazepine
CID 704581
N-(2,4-difluorophenyl)-4-methylthiobenzylideneamine
CID 129825129
1,2,3,4-Tetrafluorodibenz-[b,f][1,4]thiazepine
CID 129870939
9-(Trifluoromethyl)benzo[b][1,4]benzothiazepine
CID 139219181
7-(Trifluoromethyl)benzo[b][1,4]benzothiazepine
CID 139219183
N-(2-phenylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanimine
CID 139241326
7,9-Dimethyl-2,3-dipropyl-4-(trifluoromethyl)-1,5-benzothiazepine
CID 162414844
N-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine
CID 166442420
1-(4-methylsulfanylphenyl)-N-phenylmethanimine
CID 2381369
4-Methyl-3-phenyl-2-(trifluoromethyl)-1,5-benzothiazepine
CID 11313204
4-Fluoro-n-(4-methylthiobenzylidene)aniline
CID 11053924

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)benzo[b][1,4]benzothiazepine?
The IUPAC name of 8-(trifluoromethyl)benzo[b][1,4]benzothiazepine (CID 139219182) is 8-(trifluoromethyl)benzo[b][1,4]benzothiazepine.
What is the SMILES notation for 8-(trifluoromethyl)benzo[b][1,4]benzothiazepine?
The canonical SMILES for 8-(trifluoromethyl)benzo[b][1,4]benzothiazepine is FC(F)(F)c1ccc2c(c1)C=Nc1ccccc1S2.
What is the InChIKey of 8-(trifluoromethyl)benzo[b][1,4]benzothiazepine?
The InChIKey is GOPPCWYCSRHGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NS/c15-14(16,17)10-5-6-12-9(7-10)8-18-11-3-1-2-4-13(11)19-12/h1-8H.
What are the key properties of 8-(trifluoromethyl)benzo[b][1,4]benzothiazepine?
8-(trifluoromethyl)benzo[b][1,4]benzothiazepine has a molecular weight of 279.29 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)benzo[b][1,4]benzothiazepine is sourced from PubChem (CID 139219182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).