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

C8H16F3NO3S — CID 79552276

IUPAC1,1,1-trifluoro-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol
SMILESCC(C)(CNCC(O)C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C8H16F3NO3S/c1-7(2,16(3,14)15)5-12-4-6(13)8(9,10)11/h6,12-13H,4-5H2,1-3H3
InChIKeyFHJZKCOGBBDOGU-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.32
Rot. Bonds5

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

1,1,1-trifluoro-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol (PubChem CID 79552276) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol
PubChem CID79552276
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC Name1,1,1-trifluoro-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol
SMILESCC(C)(CNCC(O)C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C8H16F3NO3S/c1-7(2,16(3,14)15)5-12-4-6(13)8(9,10)11/h6,12-13H,4-5H2,1-3H3
InChIKeyFHJZKCOGBBDOGU-UHFFFAOYSA-N
XLogP0.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol (CID 79552276) is 1,1,1-trifluoro-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol is CC(C)(CNCC(O)C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of 1,1,1-trifluoro-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol?
The InChIKey is FHJZKCOGBBDOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-7(2,16(3,14)15)5-12-4-6(13)8(9,10)11/h6,12-13H,4-5H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol has a molecular weight of 263.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol is sourced from PubChem (CID 79552276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).