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

C9H15F3N2S — CID 136948808

IUPAC4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\CCC(F)(F)F)NC1C
InChIInChI=1S/C9H15F3N2S/c1-6-5-15-8(14-7(6)2)13-4-3-9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyHDFRPFWALTYBTD-UHFFFAOYSA-N
MW240.29 g/mol
LogP2.66
Rot. Bonds2

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

4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine (PubChem CID 136948808) has the molecular formula C9H15F3N2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine
PubChem CID136948808
Molecular FormulaC9H15F3N2S
Molecular Weight240.29 g/mol
Exact Mass240.09
IUPAC Name4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\CCC(F)(F)F)NC1C
InChIInChI=1S/C9H15F3N2S/c1-6-5-15-8(14-7(6)2)13-4-3-9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyHDFRPFWALTYBTD-UHFFFAOYSA-N
XLogP2.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 52.66
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 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine (CID 136948808) is 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine is CC1CS/C(=N\CCC(F)(F)F)NC1C.
What is the InChIKey of 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine?
The InChIKey is HDFRPFWALTYBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2S/c1-6-5-15-8(14-7(6)2)13-4-3-9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine?
4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine has a molecular weight of 240.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136948808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).