N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine

C11H20F2N2OS — CID 136757467

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CCOCC(F)F)N1
InChIInChI=1S/C11H20F2N2OS/c1-3-11(2)4-7-17-10(15-11)14-5-6-16-8-9(12)13/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyXFRXVCINLXFFOL-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.52
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine

N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine (PubChem CID 136757467) has the molecular formula C11H20F2N2OS and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
PubChem CID136757467
Molecular FormulaC11H20F2N2OS
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CCOCC(F)F)N1
InChIInChI=1S/C11H20F2N2OS/c1-3-11(2)4-7-17-10(15-11)14-5-6-16-8-9(12)13/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyXFRXVCINLXFFOL-UHFFFAOYSA-N
XLogP2.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.52
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

4,4-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 135998325
4-ethyl-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 136267094
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazinan-2-imine
CID 136300315
N-[2-(2,2-difluoroethoxy)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730445
4-ethyl-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine
CID 136757234
4-ethyl-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazinan-2-imine
CID 136757252
N-(2,2-difluoroethyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757323
N-[2-(2,2,2-trifluoroethoxy)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819696
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazinan-2-imine
CID 136848288
4-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazinan-2-imine
CID 136848289
4-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazinan-2-imine
CID 136848565
N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazinan-2-imine
CID 136896892

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine (CID 136757467) is N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\CCOCC(F)F)N1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The InChIKey is XFRXVCINLXFFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2OS/c1-3-11(2)4-7-17-10(15-11)14-5-6-16-8-9(12)13/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine has a molecular weight of 266.36 g/mol, XLogP of 2.52, 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-ethyl-4-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136757467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).