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

C10H18F2N2OS — CID 136896892

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CCOCC(F)F)N1
InChIInChI=1S/C10H18F2N2OS/c1-2-8-3-6-16-10(14-8)13-4-5-15-7-9(11)12/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyJUJCXNHUFMZQBE-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.13
Rot. Bonds6

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

N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazinan-2-imine (PubChem CID 136896892) 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-ethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazinan-2-imine
PubChem CID136896892
Molecular FormulaC10H18F2N2OS
Molecular Weight252.33 g/mol
Exact Mass252.11
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CCOCC(F)F)N1
InChIInChI=1S/C10H18F2N2OS/c1-2-8-3-6-16-10(14-8)13-4-5-15-7-9(11)12/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyJUJCXNHUFMZQBE-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 63827745
N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105916867
N-[2-(2,2-difluoroethoxy)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 105916903
N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105916906
5,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361648
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
(4S)-4-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 136294800
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazinan-2-imine
CID 136300315
4-ethyl-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazinan-2-imine
CID 136757252
N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757467
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazinan-2-imine
CID 136848288

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazinan-2-imine (CID 136896892) is N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazinan-2-imine is CCC1CCS/C(=N\CCOCC(F)F)N1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazinan-2-imine?
The InChIKey is JUJCXNHUFMZQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2OS/c1-2-8-3-6-16-10(14-8)13-4-5-15-7-9(11)12/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazinan-2-imine?
N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazinan-2-imine has a molecular weight of 252.33 g/mol, XLogP of 2.13, 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-1,3-thiazinan-2-imine is sourced from PubChem (CID 136896892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).