7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine

C10H10F3NS — CID 15965869

IUPAC7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine
SMILESFC(F)(F)c1ccc2c(c1)CSCCN2
InChIInChI=1S/C10H10F3NS/c11-10(12,13)8-1-2-9-7(5-8)6-15-4-3-14-9/h1-2,5,14H,3-4,6H2
InChIKeyPQMYJSBWCVYKIY-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.36
Rot. Bonds

About 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine

7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine (PubChem CID 15965869) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine.

Molecular Properties

Compound Name7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine
PubChem CID15965869
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine
SMILESFC(F)(F)c1ccc2c(c1)CSCCN2
InChIInChI=1S/C10H10F3NS/c11-10(12,13)8-1-2-9-7(5-8)6-15-4-3-14-9/h1-2,5,14H,3-4,6H2
InChIKeyPQMYJSBWCVYKIY-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,5-Tetrahydro-4,1-benzothiazepine
CID 13270248
4,1-Benzothiazepine, 1,2,3,5-tetrahydro-, 4,4-dioxide
CID 18378663
4,4-difluoro-5-methylidene-2,3-dihydro-1H-1-benzazepine
CID 91135397
N-[1-phenyl-2-(trifluoromethylsulfanyl)ethyl]aniline
CID 176438266
N-(2-ethylsulfanylethyl)-4-methylaniline
CID 62577739
6-(Trifluoromethyl)quinoline-4-thiol
CID 2775247
N-(3-ethylsulfanylpropyl)-4-(trifluoromethyl)aniline
CID 12850653
8-fluoro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine
CID 12850662
8-fluoro-6-methyl-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine
CID 12850671
6-methyl-8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine
CID 12850682
7-trifluoromethyl-2,3,4,5-tetrahydro-1H-[1]benzazepine
CID 16244470
8-(Trifluoromethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine
CID 17886840

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine?
The IUPAC name of 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine (CID 15965869) is 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine.
What is the SMILES notation for 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine?
The canonical SMILES for 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine is FC(F)(F)c1ccc2c(c1)CSCCN2.
What is the InChIKey of 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine?
The InChIKey is PQMYJSBWCVYKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS/c11-10(12,13)8-1-2-9-7(5-8)6-15-4-3-14-9/h1-2,5,14H,3-4,6H2.
What are the key properties of 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine?
7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine has a molecular weight of 233.26 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine is sourced from PubChem (CID 15965869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).