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

C8H16F3NOS — CID 63966493

IUPAC1,1,1-trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
SMILESCSCC(C)CNCC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NOS/c1-6(5-14-2)3-12-4-7(13)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyMORNUQMYDWJWHH-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.50
Rot. Bonds6

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

1,1,1-trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol (PubChem CID 63966493) has the molecular formula C8H16F3NOS and a molecular weight of 231.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
PubChem CID63966493
Molecular FormulaC8H16F3NOS
Molecular Weight231.28 g/mol
Exact Mass231.09
IUPAC Name1,1,1-trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
SMILESCSCC(C)CNCC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NOS/c1-6(5-14-2)3-12-4-7(13)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyMORNUQMYDWJWHH-UHFFFAOYSA-N
XLogP1.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol (CID 63966493) is 1,1,1-trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol is CSCC(C)CNCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol?
The InChIKey is MORNUQMYDWJWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NOS/c1-6(5-14-2)3-12-4-7(13)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol has a molecular weight of 231.28 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol is sourced from PubChem (CID 63966493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).