1,1,1-trifluoro-3-[methyl(2-methylsulfonylethyl)amino]propan-2-ol

C7H14F3NO3S — CID 79849853

IUPAC1,1,1-trifluoro-3-[methyl(2-methylsulfonylethyl)amino]propan-2-ol
SMILESCN(CCS(C)(=O)=O)CC(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-11(3-4-15(2,13)14)5-6(12)7(8,9)10/h6,12H,3-5H2,1-2H3
InChIKeyMWQKAHIIGZXIBD-UHFFFAOYSA-N
MW249.25 g/mol
LogP-0.11
Rot. Bonds5

About 1,1,1-trifluoro-3-[methyl(2-methylsulfonylethyl)amino]propan-2-ol

1,1,1-trifluoro-3-[methyl(2-methylsulfonylethyl)amino]propan-2-ol (PubChem CID 79849853) has the molecular formula C7H14F3NO3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[methyl(2-methylsulfonylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[methyl(2-methylsulfonylethyl)amino]propan-2-ol
PubChem CID79849853
Molecular FormulaC7H14F3NO3S
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC Name1,1,1-trifluoro-3-[methyl(2-methylsulfonylethyl)amino]propan-2-ol
SMILESCN(CCS(C)(=O)=O)CC(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-11(3-4-15(2,13)14)5-6(12)7(8,9)10/h6,12H,3-5H2,1-2H3
InChIKeyMWQKAHIIGZXIBD-UHFFFAOYSA-N
XLogP-0.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[methyl(2-methylsulfonylethyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[methyl(2-methylsulfonylethyl)amino]propan-2-ol (CID 79849853) is 1,1,1-trifluoro-3-[methyl(2-methylsulfonylethyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[methyl(2-methylsulfonylethyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[methyl(2-methylsulfonylethyl)amino]propan-2-ol is CN(CCS(C)(=O)=O)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[methyl(2-methylsulfonylethyl)amino]propan-2-ol?
The InChIKey is MWQKAHIIGZXIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3S/c1-11(3-4-15(2,13)14)5-6(12)7(8,9)10/h6,12H,3-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[methyl(2-methylsulfonylethyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[methyl(2-methylsulfonylethyl)amino]propan-2-ol has a molecular weight of 249.25 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[methyl(2-methylsulfonylethyl)amino]propan-2-ol is sourced from PubChem (CID 79849853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).