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

C10H16F2N2S — CID 136747253

IUPACN-(2,2-difluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
SMILESFC(F)C/N=C1/NC2CCCCC2CS1
InChIInChI=1S/C10H16F2N2S/c11-9(12)5-13-10-14-8-4-2-1-3-7(8)6-15-10/h7-9H,1-6H2,(H,13,14)
InChIKeyZDUZLFUYYPXAFF-UHFFFAOYSA-N
MW234.31 g/mol
LogP2.50
Rot. Bonds2

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

N-(2,2-difluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine (PubChem CID 136747253) has the molecular formula C10H16F2N2S and a molecular weight of 234.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
PubChem CID136747253
Molecular FormulaC10H16F2N2S
Molecular Weight234.31 g/mol
Exact Mass234.10
IUPAC NameN-(2,2-difluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
SMILESFC(F)C/N=C1/NC2CCCCC2CS1
InChIInChI=1S/C10H16F2N2S/c11-9(12)5-13-10-14-8-4-2-1-3-7(8)6-15-10/h7-9H,1-6H2,(H,13,14)
InChIKeyZDUZLFUYYPXAFF-UHFFFAOYSA-N
XLogP2.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
The IUPAC name of N-(2,2-difluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine (CID 136747253) is N-(2,2-difluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
The canonical SMILES for N-(2,2-difluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine is FC(F)C/N=C1/NC2CCCCC2CS1.
What is the InChIKey of N-(2,2-difluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
The InChIKey is ZDUZLFUYYPXAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2S/c11-9(12)5-13-10-14-8-4-2-1-3-7(8)6-15-10/h7-9H,1-6H2,(H,13,14).
What are the key properties of N-(2,2-difluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine?
N-(2,2-difluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine has a molecular weight of 234.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine is sourced from PubChem (CID 136747253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).