2-methyl-1-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]propan-2-ol

C10H20F3NO2S — CID 86696805

IUPAC2-methyl-1-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]propan-2-ol
SMILESCC(C)(O)CNCCCS(=O)CCC(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-9(2,15)8-14-5-3-6-17(16)7-4-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeyOAEPVECOUTYJLP-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.44
Rot. Bonds8

About 2-methyl-1-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]propan-2-ol

2-methyl-1-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]propan-2-ol (PubChem CID 86696805) has the molecular formula C10H20F3NO2S and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-methyl-1-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]propan-2-ol
PubChem CID86696805
Molecular FormulaC10H20F3NO2S
Molecular Weight275.34 g/mol
Exact Mass275.12
IUPAC Name2-methyl-1-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]propan-2-ol
SMILESCC(C)(O)CNCCCS(=O)CCC(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-9(2,15)8-14-5-3-6-17(16)7-4-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeyOAEPVECOUTYJLP-UHFFFAOYSA-N
XLogP1.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]propan-2-ol (CID 86696805) is 2-methyl-1-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]propan-2-ol is CC(C)(O)CNCCCS(=O)CCC(F)(F)F.
What is the InChIKey of 2-methyl-1-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]propan-2-ol?
The InChIKey is OAEPVECOUTYJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2S/c1-9(2,15)8-14-5-3-6-17(16)7-4-10(11,12)13/h14-15H,3-8H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]propan-2-ol?
2-methyl-1-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]propan-2-ol has a molecular weight of 275.34 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]propan-2-ol is sourced from PubChem (CID 86696805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).