2-fluoro-1-thiomorpholin-4-ylethanone

C6H10FNOS — CID 144864884

IUPAC2-fluoro-1-thiomorpholin-4-ylethanone
SMILESO=C(CF)N1CCSCC1
InChIInChI=1S/C6H10FNOS/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2
InChIKeyXBJYLJSHHGQDSF-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.53
Rot. Bonds1

About 2-fluoro-1-thiomorpholin-4-ylethanone

2-fluoro-1-thiomorpholin-4-ylethanone (PubChem CID 144864884) has the molecular formula C6H10FNOS and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-fluoro-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-fluoro-1-thiomorpholin-4-ylethanone
PubChem CID144864884
Molecular FormulaC6H10FNOS
Molecular Weight163.22 g/mol
Exact Mass163.05
IUPAC Name2-fluoro-1-thiomorpholin-4-ylethanone
SMILESO=C(CF)N1CCSCC1
InChIInChI=1S/C6H10FNOS/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2
InChIKeyXBJYLJSHHGQDSF-UHFFFAOYSA-N
XLogP0.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-fluoro-1-thiomorpholin-4-ylethanone (CID 144864884) is 2-fluoro-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-fluoro-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-fluoro-1-thiomorpholin-4-ylethanone is O=C(CF)N1CCSCC1.
What is the InChIKey of 2-fluoro-1-thiomorpholin-4-ylethanone?
The InChIKey is XBJYLJSHHGQDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNOS/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2.
What are the key properties of 2-fluoro-1-thiomorpholin-4-ylethanone?
2-fluoro-1-thiomorpholin-4-ylethanone has a molecular weight of 163.22 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 144864884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).