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

C9H8F3NOS — CID 15550365

IUPAC7-(trifluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazine
SMILESFC(F)(F)Oc1ccc2c(c1)SCCN2
InChIInChI=1S/C9H8F3NOS/c10-9(11,12)14-6-1-2-7-8(5-6)15-4-3-13-7/h1-2,5,13H,3-4H2
InChIKeyTWPWHKKTXVEKRF-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.10
Rot. Bonds1

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

7-(trifluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 15550365) has the molecular formula C9H8F3NOS and a molecular weight of 235.23 g/mol. Its IUPAC name is 7-(trifluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name7-(trifluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID15550365
Molecular FormulaC9H8F3NOS
Molecular Weight235.23 g/mol
Exact Mass235.03
IUPAC Name7-(trifluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazine
SMILESFC(F)(F)Oc1ccc2c(c1)SCCN2
InChIInChI=1S/C9H8F3NOS/c10-9(11,12)14-6-1-2-7-8(5-6)15-4-3-13-7/h1-2,5,13H,3-4H2
InChIKeyTWPWHKKTXVEKRF-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-(trifluoromethoxy)-2,3-dihydro-1H-quinolin-4-one
CID 15550363
7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
CID 71432329
8-(trifluoromethoxy)-3,4-dihydro-2H-1-benzothiepin-5-one
CID 127264118
3,3-dimethyl-5-(trifluoromethoxy)-1,2-dihydro-1,3-benzazasilole
CID 162574233
6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 162368247
3-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)aniline
CID 116998933
(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine
CID 171195260
3,4-dihydro-2H-1,4-benzothiazin-6-amine;3,4-dihydro-2H-1,4-benzothiazin-7-amine;3,4-dihydro-2H-1,4-benzoxazin-7-amine
CID 158162839
10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one
CID 135999407
3-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)oxetane-3-carbonitrile
CID 116999004
(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171195261
2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702102

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 7-(trifluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazine (CID 15550365) is 7-(trifluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 7-(trifluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 7-(trifluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazine is FC(F)(F)Oc1ccc2c(c1)SCCN2.
What is the InChIKey of 7-(trifluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is TWPWHKKTXVEKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NOS/c10-9(11,12)14-6-1-2-7-8(5-6)15-4-3-13-7/h1-2,5,13H,3-4H2.
What are the key properties of 7-(trifluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazine?
7-(trifluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 235.23 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 15550365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).