1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol

C7H12F3NOS — CID 3696368

IUPAC1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol
SMILESOC(CN1CCSCC1)C(F)(F)F
InChIInChI=1S/C7H12F3NOS/c8-7(9,10)6(12)5-11-1-3-13-4-2-11/h6,12H,1-5H2
InChIKeyVULXDDBOUZXLRM-UHFFFAOYSA-N
MW215.24 g/mol
LogP0.96
Rot. Bonds2

About 1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol

1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol (PubChem CID 3696368) has the molecular formula C7H12F3NOS and a molecular weight of 215.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol
PubChem CID3696368
Molecular FormulaC7H12F3NOS
Molecular Weight215.24 g/mol
Exact Mass215.06
IUPAC Name1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol
SMILESOC(CN1CCSCC1)C(F)(F)F
InChIInChI=1S/C7H12F3NOS/c8-7(9,10)6(12)5-11-1-3-13-4-2-11/h6,12H,1-5H2
InChIKeyVULXDDBOUZXLRM-UHFFFAOYSA-N
XLogP0.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol (CID 3696368) is 1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol is OC(CN1CCSCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol?
The InChIKey is VULXDDBOUZXLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NOS/c8-7(9,10)6(12)5-11-1-3-13-4-2-11/h6,12H,1-5H2.
What are the key properties of 1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol?
1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol has a molecular weight of 215.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol is sourced from PubChem (CID 3696368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).