N-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine

C11H16F4N2S — CID 136747488

IUPACN-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
SMILESFC(F)C(F)(F)C/N=C1/NC2CCCCC2CS1
InChIInChI=1S/C11H16F4N2S/c12-9(13)11(14,15)6-16-10-17-8-4-2-1-3-7(8)5-18-10/h7-9H,1-6H2,(H,16,17)
InChIKeyMYIHIYVCFNOWCS-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.14
Rot. Bonds3

About N-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine

N-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine (PubChem CID 136747488) has the molecular formula C11H16F4N2S and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
PubChem CID136747488
Molecular FormulaC11H16F4N2S
Molecular Weight284.32 g/mol
Exact Mass284.10
IUPAC NameN-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
SMILESFC(F)C(F)(F)C/N=C1/NC2CCCCC2CS1
InChIInChI=1S/C11H16F4N2S/c12-9(13)11(14,15)6-16-10-17-8-4-2-1-3-7(8)5-18-10/h7-9H,1-6H2,(H,16,17)
InChIKeyMYIHIYVCFNOWCS-UHFFFAOYSA-N
XLogP3.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
The IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine (CID 136747488) is N-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine.
What is the SMILES notation for N-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
The canonical SMILES for N-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine is FC(F)C(F)(F)C/N=C1/NC2CCCCC2CS1.
What is the InChIKey of N-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
The InChIKey is MYIHIYVCFNOWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N2S/c12-9(13)11(14,15)6-16-10-17-8-4-2-1-3-7(8)5-18-10/h7-9H,1-6H2,(H,16,17).
What are the key properties of N-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
N-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine has a molecular weight of 284.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine is sourced from PubChem (CID 136747488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).