2-fluoro-1-thiomorpholin-4-ylpropan-1-one

C7H12FNOS — CID 144864876

IUPAC2-fluoro-1-thiomorpholin-4-ylpropan-1-one
SMILESCC(F)C(=O)N1CCSCC1
InChIInChI=1S/C7H12FNOS/c1-6(8)7(10)9-2-4-11-5-3-9/h6H,2-5H2,1H3
InChIKeyBUIUFDKLBHFQMV-UHFFFAOYSA-N
MW177.24 g/mol
LogP0.92
Rot. Bonds1

About 2-fluoro-1-thiomorpholin-4-ylpropan-1-one

2-fluoro-1-thiomorpholin-4-ylpropan-1-one (PubChem CID 144864876) has the molecular formula C7H12FNOS and a molecular weight of 177.24 g/mol. Its IUPAC name is 2-fluoro-1-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-fluoro-1-thiomorpholin-4-ylpropan-1-one
PubChem CID144864876
Molecular FormulaC7H12FNOS
Molecular Weight177.24 g/mol
Exact Mass177.06
IUPAC Name2-fluoro-1-thiomorpholin-4-ylpropan-1-one
SMILESCC(F)C(=O)N1CCSCC1
InChIInChI=1S/C7H12FNOS/c1-6(8)7(10)9-2-4-11-5-3-9/h6H,2-5H2,1H3
InChIKeyBUIUFDKLBHFQMV-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 50.92
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-ylpropan-1-one?
The IUPAC name of 2-fluoro-1-thiomorpholin-4-ylpropan-1-one (CID 144864876) is 2-fluoro-1-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-fluoro-1-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for 2-fluoro-1-thiomorpholin-4-ylpropan-1-one is CC(F)C(=O)N1CCSCC1.
What is the InChIKey of 2-fluoro-1-thiomorpholin-4-ylpropan-1-one?
The InChIKey is BUIUFDKLBHFQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNOS/c1-6(8)7(10)9-2-4-11-5-3-9/h6H,2-5H2,1H3.
What are the key properties of 2-fluoro-1-thiomorpholin-4-ylpropan-1-one?
2-fluoro-1-thiomorpholin-4-ylpropan-1-one has a molecular weight of 177.24 g/mol, XLogP of 0.92, 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-ylpropan-1-one is sourced from PubChem (CID 144864876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).