N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine

C9H16F2N2OS — CID 136896902

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\CCOCC(F)F)N1
InChIInChI=1S/C9H16F2N2OS/c1-9(2)6-15-8(13-9)12-3-4-14-5-7(10)11/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyHODWZPNMKPLHML-UHFFFAOYSA-N
MW238.30 g/mol
LogP1.74
Rot. Bonds5

About N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine

N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 136896902) has the molecular formula C9H16F2N2OS and a molecular weight of 238.30 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
PubChem CID136896902
Molecular FormulaC9H16F2N2OS
Molecular Weight238.30 g/mol
Exact Mass238.10
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\CCOCC(F)F)N1
InChIInChI=1S/C9H16F2N2OS/c1-9(2)6-15-8(13-9)12-3-4-14-5-7(10)11/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyHODWZPNMKPLHML-UHFFFAOYSA-N
XLogP1.74
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 135403448
N-(1-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine
CID 135977282
N-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916874
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 135998322
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 135998324
4,4-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 135998325
4-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 136148437
4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 136148438
4-ethyl-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 136267094
(4S)-4-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 136294800
N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazolidin-2-imine
CID 136896893
N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazolidin-2-imine
CID 136896895

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine (CID 136896902) is N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine is CC1(C)CS/C(=N\CCOCC(F)F)N1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is HODWZPNMKPLHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2OS/c1-9(2)6-15-8(13-9)12-3-4-14-5-7(10)11/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine has a molecular weight of 238.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136896902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).