2-methyl-3-(2,2,2-trifluoroethoxymethylsulfinyl)propan-1-amine

C7H14F3NO2S — CID 106706763

IUPAC2-methyl-3-(2,2,2-trifluoroethoxymethylsulfinyl)propan-1-amine
SMILESCC(CN)CS(=O)COCC(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-6(2-11)3-14(12)5-13-4-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyRRUVUVVLIXVMJV-UHFFFAOYSA-N
MW233.25 g/mol
LogP0.87
Rot. Bonds6

About 2-methyl-3-(2,2,2-trifluoroethoxymethylsulfinyl)propan-1-amine

2-methyl-3-(2,2,2-trifluoroethoxymethylsulfinyl)propan-1-amine (PubChem CID 106706763) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-methyl-3-(2,2,2-trifluoroethoxymethylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2,2,2-trifluoroethoxymethylsulfinyl)propan-1-amine
PubChem CID106706763
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC Name2-methyl-3-(2,2,2-trifluoroethoxymethylsulfinyl)propan-1-amine
SMILESCC(CN)CS(=O)COCC(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-6(2-11)3-14(12)5-13-4-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyRRUVUVVLIXVMJV-UHFFFAOYSA-N
XLogP0.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,2-trifluoroethoxymethylsulfinyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(2,2,2-trifluoroethoxymethylsulfinyl)propan-1-amine (CID 106706763) is 2-methyl-3-(2,2,2-trifluoroethoxymethylsulfinyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(2,2,2-trifluoroethoxymethylsulfinyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(2,2,2-trifluoroethoxymethylsulfinyl)propan-1-amine is CC(CN)CS(=O)COCC(F)(F)F.
What is the InChIKey of 2-methyl-3-(2,2,2-trifluoroethoxymethylsulfinyl)propan-1-amine?
The InChIKey is RRUVUVVLIXVMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-6(2-11)3-14(12)5-13-4-7(8,9)10/h6H,2-5,11H2,1H3.
What are the key properties of 2-methyl-3-(2,2,2-trifluoroethoxymethylsulfinyl)propan-1-amine?
2-methyl-3-(2,2,2-trifluoroethoxymethylsulfinyl)propan-1-amine has a molecular weight of 233.25 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,2-trifluoroethoxymethylsulfinyl)propan-1-amine is sourced from PubChem (CID 106706763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).