2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one

C11H10F3NOS — CID 10890648

IUPAC2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one
SMILESCC1(C)Sc2ccc(C(F)(F)F)cc2NC1=O
InChIInChI=1S/C11H10F3NOS/c1-10(2)9(16)15-7-5-6(11(12,13)14)3-4-8(7)17-10/h3-5H,1-2H3,(H,15,16)
InChIKeyOFCVHJABPZEDFW-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.53
Rot. Bonds

About 2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one

2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one (PubChem CID 10890648) has the molecular formula C11H10F3NOS and a molecular weight of 261.27 g/mol. Its IUPAC name is 2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one
PubChem CID10890648
Molecular FormulaC11H10F3NOS
Molecular Weight261.27 g/mol
Exact Mass261.04
IUPAC Name2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one
SMILESCC1(C)Sc2ccc(C(F)(F)F)cc2NC1=O
InChIInChI=1S/C11H10F3NOS/c1-10(2)9(16)15-7-5-6(11(12,13)14)3-4-8(7)17-10/h3-5H,1-2H3,(H,15,16)
InChIKeyOFCVHJABPZEDFW-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethyl)-10H-phenothiazine
CID 7082
Fluoracizine
CID 161562
1-Propanone, 3-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)-, hydrochloride (1:1)
CID 161561
7-Methyl-1,4-benzothiazin-3(4H)-one
CID 689104
Ethanone, 1-[3-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-
CID 846402
2-ethyl-10H-phenothiazine
CID 98833
7-[3-(trifluoromethyl)anilino]-4H-1,4-benzothiazin-3-one
CID 86342435
N-[4-[1-(10H-phenothiazin-2-yl)ethenyl]phenyl]acetamide
CID 141758626
2-Benzylidene-2H-1,4-benzothiazin-3(4H)-one
CID 1715032
N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
CID 2870191
N-(2-cyanophenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
CID 2876418
2,2-Dimethyl-2H-1,4-benzothiazin-3(4H)-one
CID 13293492

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one (CID 10890648) is 2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one is CC1(C)Sc2ccc(C(F)(F)F)cc2NC1=O.
What is the InChIKey of 2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one?
The InChIKey is OFCVHJABPZEDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NOS/c1-10(2)9(16)15-7-5-6(11(12,13)14)3-4-8(7)17-10/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one?
2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one has a molecular weight of 261.27 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 10890648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).