5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine

C11H12F3NS — CID 147956089

IUPAC5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine
SMILESFC(F)(F)C1=C(C2=CSCCN2)CCC=C1
InChIInChI=1S/C11H12F3NS/c12-11(13,14)9-4-2-1-3-8(9)10-7-16-6-5-15-10/h2,4,7,15H,1,3,5-6H2
InChIKeyIOOCYDQTQSWGSK-UHFFFAOYSA-N
MW247.28 g/mol
LogP3.37
Rot. Bonds1

About 5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine

5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine (PubChem CID 147956089) has the molecular formula C11H12F3NS and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine
PubChem CID147956089
Molecular FormulaC11H12F3NS
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine
SMILESFC(F)(F)C1=C(C2=CSCCN2)CCC=C1
InChIInChI=1S/C11H12F3NS/c12-11(13,14)9-4-2-1-3-8(9)10-7-16-6-5-15-10/h2,4,7,15H,1,3,5-6H2
InChIKeyIOOCYDQTQSWGSK-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine with MolForge

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Related Compounds

(Z)-2-amino-2-[4-(ethylamino)-3-fluorocyclohexa-1,3-dien-1-yl]ethenethiol
CID 89425971
6-(1,1-Difluoroethyl)-3-(methylsulfanylmethyl)-1,2-dihydropyridine
CID 122429864
3-(Thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine
CID 162553950
(1R)-4-(4-fluoro-5,6-dihydrothieno[2,3-c]pyridin-7-yl)cyclohex-3-en-1-amine
CID 178660648
3,4-Dihydro-1H-thiopyrano[4,3]quinolin-10-amine
CID 86744960
2,3,4,7-tetrahydro-1H-thiopyrano[4,3-b]pyridine
CID 89384062

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine?
The IUPAC name of 5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine (CID 147956089) is 5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine.
What is the SMILES notation for 5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine?
The canonical SMILES for 5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine is FC(F)(F)C1=C(C2=CSCCN2)CCC=C1.
What is the InChIKey of 5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine?
The InChIKey is IOOCYDQTQSWGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NS/c12-11(13,14)9-4-2-1-3-8(9)10-7-16-6-5-15-10/h2,4,7,15H,1,3,5-6H2.
What are the key properties of 5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine?
5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine has a molecular weight of 247.28 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine is sourced from PubChem (CID 147956089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).