4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine

C11H18F4N2S — CID 136848611

IUPAC4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
SMILESCC(C)(C)C1CCS/C(=N\CC(F)(F)C(F)F)N1
InChIInChI=1S/C11H18F4N2S/c1-10(2,3)7-4-5-18-9(17-7)16-6-11(14,15)8(12)13/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyFGLMCUAVJQZHSI-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.38
Rot. Bonds3

About 4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine

4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine (PubChem CID 136848611) has the molecular formula C11H18F4N2S and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
PubChem CID136848611
Molecular FormulaC11H18F4N2S
Molecular Weight286.34 g/mol
Exact Mass286.11
IUPAC Name4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
SMILESCC(C)(C)C1CCS/C(=N\CC(F)(F)C(F)F)N1
InChIInChI=1S/C11H18F4N2S/c1-10(2,3)7-4-5-18-9(17-7)16-6-11(14,15)8(12)13/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyFGLMCUAVJQZHSI-UHFFFAOYSA-N
XLogP3.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.38
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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Related Compounds

4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819417
4-tert-butyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine
CID 136993393
4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine
CID 136848255
4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848441
4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine
CID 136848377
4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136848036
4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819431
4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
CID 136848061
4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazinan-2-imine
CID 136848047
1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 136848488
4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136993429
4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine
CID 136848101

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine (CID 136848611) is 4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine is CC(C)(C)C1CCS/C(=N\CC(F)(F)C(F)F)N1.
What is the InChIKey of 4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine?
The InChIKey is FGLMCUAVJQZHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F4N2S/c1-10(2,3)7-4-5-18-9(17-7)16-6-11(14,15)8(12)13/h7-8H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine?
4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine has a molecular weight of 286.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).