2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine

C10H10F3NS — CID 71682324

IUPAC2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1CNc2cc(C(F)(F)F)ccc2S1
InChIInChI=1S/C10H10F3NS/c1-6-5-14-8-4-7(10(11,12)13)2-3-9(8)15-6/h2-4,6,14H,5H2,1H3
InChIKeyWRLRCEHLHPAGNN-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.61
Rot. Bonds

About 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine

2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 71682324) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID71682324
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1CNc2cc(C(F)(F)F)ccc2S1
InChIInChI=1S/C10H10F3NS/c1-6-5-14-8-4-7(10(11,12)13)2-3-9(8)15-6/h2-4,6,14H,5H2,1H3
InChIKeyWRLRCEHLHPAGNN-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine (CID 71682324) is 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine is CC1CNc2cc(C(F)(F)F)ccc2S1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is WRLRCEHLHPAGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS/c1-6-5-14-8-4-7(10(11,12)13)2-3-9(8)15-6/h2-4,6,14H,5H2,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine?
2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 233.26 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 71682324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).