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

C10H18F2N2OS — CID 136896904

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N\CCOCC(F)F)N1
InChIInChI=1S/C10H18F2N2OS/c1-7(2)8-6-16-10(14-8)13-3-4-15-5-9(11)12/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyQRPCMOXATQMYJJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.99
Rot. Bonds6

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

N-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 136896904) has the molecular formula C10H18F2N2OS and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID136896904
Molecular FormulaC10H18F2N2OS
Molecular Weight252.33 g/mol
Exact Mass252.11
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N\CCOCC(F)F)N1
InChIInChI=1S/C10H18F2N2OS/c1-7(2)8-6-16-10(14-8)13-3-4-15-5-9(11)12/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyQRPCMOXATQMYJJ-UHFFFAOYSA-N
XLogP1.99
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.99
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine (CID 136896904) is N-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine is CC(C)C1CS/C(=N\CCOCC(F)F)N1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is QRPCMOXATQMYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2OS/c1-7(2)8-6-16-10(14-8)13-3-4-15-5-9(11)12/h7-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
N-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 252.33 g/mol, XLogP of 1.99, 6 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-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136896904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).