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

C10H17F3N2S — CID 136848032

IUPAC4-tert-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine
SMILESCC(C)(C)C1CCS/C(=N\CC(F)(F)F)N1
InChIInChI=1S/C10H17F3N2S/c1-9(2,3)7-4-5-16-8(15-7)14-6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyVOCMMHMZWYGPRM-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.05
Rot. Bonds1

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

4-tert-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine (PubChem CID 136848032) has the molecular formula C10H17F3N2S and a molecular weight of 254.32 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-tert-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine
PubChem CID136848032
Molecular FormulaC10H17F3N2S
Molecular Weight254.32 g/mol
Exact Mass254.11
IUPAC Name4-tert-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine
SMILESCC(C)(C)C1CCS/C(=N\CC(F)(F)F)N1
InChIInChI=1S/C10H17F3N2S/c1-9(2,3)7-4-5-16-8(15-7)14-6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyVOCMMHMZWYGPRM-UHFFFAOYSA-N
XLogP3.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943218
5-(2,2-dimethylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943219
4,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943226
5-(2-methylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943240
5,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 105943247
N-(4,4,4-trifluorobutan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 105943254
4,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943256
5,5-diethyl-N-(3,3,3-trifluoropropyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250844
N-(2,2-difluoroethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106251297
5,5-diethyl-N-(4,4,4-trifluorobutyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106251300
5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106251303
5,5-diethyl-N-(2,2,3,3-tetrafluoropropyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106294894

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-tert-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine (CID 136848032) is 4-tert-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-tert-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-tert-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine is CC(C)(C)C1CCS/C(=N\CC(F)(F)F)N1.
What is the InChIKey of 4-tert-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine?
The InChIKey is VOCMMHMZWYGPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2S/c1-9(2,3)7-4-5-16-8(15-7)14-6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 4-tert-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine?
4-tert-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine has a molecular weight of 254.32 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).