N-(2,2-difluoroethyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine

C9H16F2N2S — CID 136757323

IUPACN-(2,2-difluoroethyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CC(F)F)N1
InChIInChI=1S/C9H16F2N2S/c1-3-9(2)4-5-14-8(13-9)12-6-7(10)11/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyKJVSWJWPPPITME-UHFFFAOYSA-N
MW222.30 g/mol
LogP2.50
Rot. Bonds3

About N-(2,2-difluoroethyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine

N-(2,2-difluoroethyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine (PubChem CID 136757323) has the molecular formula C9H16F2N2S and a molecular weight of 222.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine
PubChem CID136757323
Molecular FormulaC9H16F2N2S
Molecular Weight222.30 g/mol
Exact Mass222.10
IUPAC NameN-(2,2-difluoroethyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CC(F)F)N1
InChIInChI=1S/C9H16F2N2S/c1-3-9(2)4-5-14-8(13-9)12-6-7(10)11/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyKJVSWJWPPPITME-UHFFFAOYSA-N
XLogP2.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106219331
4-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352497
5,5-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 114164268
4,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine
CID 136191521
4,4-diethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine
CID 136212089
4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine
CID 136755474
4-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazinan-2-imine
CID 136757033
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
4-ethyl-4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine
CID 136757324
N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757467
4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819428

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2,2-difluoroethyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine (CID 136757323) is N-(2,2-difluoroethyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2,2-difluoroethyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\CC(F)F)N1.
What is the InChIKey of N-(2,2-difluoroethyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The InChIKey is KJVSWJWPPPITME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2S/c1-3-9(2)4-5-14-8(13-9)12-6-7(10)11/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-(2,2-difluoroethyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
N-(2,2-difluoroethyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine has a molecular weight of 222.30 g/mol, XLogP of 2.50, 3 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-ethyl-4-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136757323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).