4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine

C8H12F4N2S — CID 136819427

IUPAC4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\CC(F)(F)C(F)F)N1
InChIInChI=1S/C8H12F4N2S/c1-7(2)4-15-6(14-7)13-3-8(11,12)5(9)10/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyFHXFYNCMHGERTK-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.36
Rot. Bonds3

About 4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine

4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine (PubChem CID 136819427) has the molecular formula C8H12F4N2S and a molecular weight of 244.26 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine
PubChem CID136819427
Molecular FormulaC8H12F4N2S
Molecular Weight244.26 g/mol
Exact Mass244.07
IUPAC Name4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\CC(F)(F)C(F)F)N1
InChIInChI=1S/C8H12F4N2S/c1-7(2)4-15-6(14-7)13-3-8(11,12)5(9)10/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyFHXFYNCMHGERTK-UHFFFAOYSA-N
XLogP2.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.36
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 4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine (CID 136819427) is 4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine is CC1(C)CS/C(=N\CC(F)(F)C(F)F)N1.
What is the InChIKey of 4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine?
The InChIKey is FHXFYNCMHGERTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4N2S/c1-7(2)4-15-6(14-7)13-3-8(11,12)5(9)10/h5H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine?
4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine has a molecular weight of 244.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136819427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).