N-(2,2-difluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine

C8H14F2N2S — CID 136755473

IUPACN-(2,2-difluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CC(F)F)N1
InChIInChI=1S/C8H14F2N2S/c1-5-3-6(2)13-8(12-5)11-4-7(9)10/h5-7H,3-4H2,1-2H3,(H,11,12)
InChIKeyCLMUOGVXBDPENI-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.11
Rot. Bonds2

About N-(2,2-difluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine

N-(2,2-difluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136755473) has the molecular formula C8H14F2N2S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
PubChem CID136755473
Molecular FormulaC8H14F2N2S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC NameN-(2,2-difluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CC(F)F)N1
InChIInChI=1S/C8H14F2N2S/c1-5-3-6(2)13-8(12-5)11-4-7(9)10/h5-7H,3-4H2,1-2H3,(H,11,12)
InChIKeyCLMUOGVXBDPENI-UHFFFAOYSA-N
XLogP2.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.11
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)-4,6-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2,2-difluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine (CID 136755473) is N-(2,2-difluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2,2-difluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2,2-difluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\CC(F)F)N1.
What is the InChIKey of N-(2,2-difluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is CLMUOGVXBDPENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2S/c1-5-3-6(2)13-8(12-5)11-4-7(9)10/h5-7H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-(2,2-difluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
N-(2,2-difluoroethyl)-4,6-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 208.28 g/mol, XLogP of 2.11, 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)-4,6-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136755473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).