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

C6H12F3NOS — CID 81201826

IUPAC2-methyl-3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine
SMILESCC(CN)CS(=O)CC(F)(F)F
InChIInChI=1S/C6H12F3NOS/c1-5(2-10)3-12(11)4-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyLUSWGBYHBSOSPJ-UHFFFAOYSA-N
MW203.23 g/mol
LogP0.89
Rot. Bonds4

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

2-methyl-3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine (PubChem CID 81201826) has the molecular formula C6H12F3NOS and a molecular weight of 203.23 g/mol. Its IUPAC name is 2-methyl-3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine
PubChem CID81201826
Molecular FormulaC6H12F3NOS
Molecular Weight203.23 g/mol
Exact Mass203.06
IUPAC Name2-methyl-3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine
SMILESCC(CN)CS(=O)CC(F)(F)F
InChIInChI=1S/C6H12F3NOS/c1-5(2-10)3-12(11)4-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyLUSWGBYHBSOSPJ-UHFFFAOYSA-N
XLogP0.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine (CID 81201826) is 2-methyl-3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine is CC(CN)CS(=O)CC(F)(F)F.
What is the InChIKey of 2-methyl-3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine?
The InChIKey is LUSWGBYHBSOSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NOS/c1-5(2-10)3-12(11)4-6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 2-methyl-3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine?
2-methyl-3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine has a molecular weight of 203.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine is sourced from PubChem (CID 81201826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).