N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine

C9H16F2N2S — CID 164654580

IUPACN-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\CC(C)(F)F)NC1C
InChIInChI=1S/C9H16F2N2S/c1-6-4-14-8(13-7(6)2)12-5-9(3,10)11/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyAVJJSWWXLPCOEF-UHFFFAOYSA-N
MW222.30 g/mol
LogP2.36
Rot. Bonds2

About N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine

N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine (PubChem CID 164654580) has the molecular formula C9H16F2N2S and a molecular weight of 222.30 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine
PubChem CID164654580
Molecular FormulaC9H16F2N2S
Molecular Weight222.30 g/mol
Exact Mass222.10
IUPAC NameN-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\CC(C)(F)F)NC1C
InChIInChI=1S/C9H16F2N2S/c1-6-4-14-8(13-7(6)2)12-5-9(3,10)11/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyAVJJSWWXLPCOEF-UHFFFAOYSA-N
XLogP2.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 52.36
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-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine (CID 164654580) is N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine is CC1CS/C(=N\CC(C)(F)F)NC1C.
What is the InChIKey of N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is AVJJSWWXLPCOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2S/c1-6-4-14-8(13-7(6)2)12-5-9(3,10)11/h6-7H,4-5H2,1-3H3,(H,12,13).
What are the key properties of N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine?
N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 222.30 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 164654580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).