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

C9H14F4N2S — CID 136819417

IUPAC4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CC(F)(F)C(F)F)N1
InChIInChI=1S/C9H14F4N2S/c1-2-6-3-4-16-8(15-6)14-5-9(12,13)7(10)11/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyVMUJHDQOUIXXRL-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.75
Rot. Bonds4

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

4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine (PubChem CID 136819417) has the molecular formula C9H14F4N2S and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
PubChem CID136819417
Molecular FormulaC9H14F4N2S
Molecular Weight258.28 g/mol
Exact Mass258.08
IUPAC Name4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CC(F)(F)C(F)F)N1
InChIInChI=1S/C9H14F4N2S/c1-2-6-3-4-16-8(15-6)14-5-9(12,13)7(10)11/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyVMUJHDQOUIXXRL-UHFFFAOYSA-N
XLogP2.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.75
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 4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine (CID 136819417) is 4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine is CCC1CCS/C(=N\CC(F)(F)C(F)F)N1.
What is the InChIKey of 4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine?
The InChIKey is VMUJHDQOUIXXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2S/c1-2-6-3-4-16-8(15-6)14-5-9(12,13)7(10)11/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine?
4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine has a molecular weight of 258.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136819417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).