7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine

C9H8F3NS — CID 22735252

IUPAC7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESFC(F)(F)c1ccc2c(c1)SCCN2
InChIInChI=1S/C9H8F3NS/c10-9(11,12)6-1-2-7-8(5-6)14-4-3-13-7/h1-2,5,13H,3-4H2
InChIKeyWIIHZGOYDVSZFM-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.22
Rot. Bonds

About 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine

7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 22735252) has the molecular formula C9H8F3NS and a molecular weight of 219.23 g/mol. Its IUPAC name is 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID22735252
Molecular FormulaC9H8F3NS
Molecular Weight219.23 g/mol
Exact Mass219.03
IUPAC Name7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESFC(F)(F)c1ccc2c(c1)SCCN2
InChIInChI=1S/C9H8F3NS/c10-9(11,12)6-1-2-7-8(5-6)14-4-3-13-7/h1-2,5,13H,3-4H2
InChIKeyWIIHZGOYDVSZFM-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine (CID 22735252) is 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine is FC(F)(F)c1ccc2c(c1)SCCN2.
What is the InChIKey of 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is WIIHZGOYDVSZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NS/c10-9(11,12)6-1-2-7-8(5-6)14-4-3-13-7/h1-2,5,13H,3-4H2.
What are the key properties of 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine?
7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 219.23 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 22735252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).