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

C7H12F2N2S — CID 136994884

IUPACN-(2,2-difluoroethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\CC(F)F)N1
InChIInChI=1S/C7H12F2N2S/c1-7(2)4-12-6(11-7)10-3-5(8)9/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyRUAOIDASBSEFIV-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.72
Rot. Bonds2

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

N-(2,2-difluoroethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 136994884) has the molecular formula C7H12F2N2S and a molecular weight of 194.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
PubChem CID136994884
Molecular FormulaC7H12F2N2S
Molecular Weight194.25 g/mol
Exact Mass194.07
IUPAC NameN-(2,2-difluoroethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\CC(F)F)N1
InChIInChI=1S/C7H12F2N2S/c1-7(2)4-12-6(11-7)10-3-5(8)9/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyRUAOIDASBSEFIV-UHFFFAOYSA-N
XLogP1.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.72
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)-4,4-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(2,2-difluoroethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine (CID 136994884) is N-(2,2-difluoroethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(2,2-difluoroethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(2,2-difluoroethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine is CC1(C)CS/C(=N\CC(F)F)N1.
What is the InChIKey of N-(2,2-difluoroethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is RUAOIDASBSEFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2S/c1-7(2)4-12-6(11-7)10-3-5(8)9/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of N-(2,2-difluoroethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
N-(2,2-difluoroethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine has a molecular weight of 194.25 g/mol, XLogP of 1.72, 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)-4,4-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136994884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).