6-(trifluoromethyl)-1,3-benzothiazin-4-one

C9H4F3NOS — CID 175733175

IUPAC6-(trifluoromethyl)-1,3-benzothiazin-4-one
SMILESO=c1ncsc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C9H4F3NOS/c10-9(11,12)5-1-2-7-6(3-5)8(14)13-4-15-7/h1-4H
InChIKeyYYBWWSWTKMORPO-UHFFFAOYSA-N
MW231.20 g/mol
LogP2.68
Rot. Bonds

About 6-(trifluoromethyl)-1,3-benzothiazin-4-one

6-(trifluoromethyl)-1,3-benzothiazin-4-one (PubChem CID 175733175) has the molecular formula C9H4F3NOS and a molecular weight of 231.20 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,3-benzothiazin-4-one
PubChem CID175733175
Molecular FormulaC9H4F3NOS
Molecular Weight231.20 g/mol
Exact Mass231.00
IUPAC Name6-(trifluoromethyl)-1,3-benzothiazin-4-one
SMILESO=c1ncsc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C9H4F3NOS/c10-9(11,12)5-1-2-7-6(3-5)8(14)13-4-15-7/h1-4H
InChIKeyYYBWWSWTKMORPO-UHFFFAOYSA-N
XLogP2.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,3-benzothiazin-4-one?
The IUPAC name of 6-(trifluoromethyl)-1,3-benzothiazin-4-one (CID 175733175) is 6-(trifluoromethyl)-1,3-benzothiazin-4-one.
What is the SMILES notation for 6-(trifluoromethyl)-1,3-benzothiazin-4-one?
The canonical SMILES for 6-(trifluoromethyl)-1,3-benzothiazin-4-one is O=c1ncsc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 6-(trifluoromethyl)-1,3-benzothiazin-4-one?
The InChIKey is YYBWWSWTKMORPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NOS/c10-9(11,12)5-1-2-7-6(3-5)8(14)13-4-15-7/h1-4H.
What are the key properties of 6-(trifluoromethyl)-1,3-benzothiazin-4-one?
6-(trifluoromethyl)-1,3-benzothiazin-4-one has a molecular weight of 231.20 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,3-benzothiazin-4-one is sourced from PubChem (CID 175733175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).