2-methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol

C8H16F3NOS — CID 116617480

IUPAC2-methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol
SMILESCN(CCSC(F)(F)F)CC(C)(C)O
InChIInChI=1S/C8H16F3NOS/c1-7(2,13)6-12(3)4-5-14-8(9,10)11/h13H,4-6H2,1-3H3
InChIKeyRIMYSQPIVLOKLG-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.94
Rot. Bonds5

About 2-methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol

2-methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol (PubChem CID 116617480) has the molecular formula C8H16F3NOS and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol
PubChem CID116617480
Molecular FormulaC8H16F3NOS
Molecular Weight231.28 g/mol
Exact Mass231.09
IUPAC Name2-methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol
SMILESCN(CCSC(F)(F)F)CC(C)(C)O
InChIInChI=1S/C8H16F3NOS/c1-7(2,13)6-12(3)4-5-14-8(9,10)11/h13H,4-6H2,1-3H3
InChIKeyRIMYSQPIVLOKLG-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol (CID 116617480) is 2-methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol is CN(CCSC(F)(F)F)CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol?
The InChIKey is RIMYSQPIVLOKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NOS/c1-7(2,13)6-12(3)4-5-14-8(9,10)11/h13H,4-6H2,1-3H3.
What are the key properties of 2-methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol?
2-methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol has a molecular weight of 231.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 116617480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).