2,2-difluoro-1-thiomorpholin-4-ylpropan-1-one

C7H11F2NOS — CID 89027809

IUPAC2,2-difluoro-1-thiomorpholin-4-ylpropan-1-one
SMILESCC(F)(F)C(=O)N1CCSCC1
InChIInChI=1S/C7H11F2NOS/c1-7(8,9)6(11)10-2-4-12-5-3-10/h2-5H2,1H3
InChIKeyZHSKOCUMDJBFFY-UHFFFAOYSA-N
MW195.23 g/mol
LogP1.22
Rot. Bonds1

About 2,2-difluoro-1-thiomorpholin-4-ylpropan-1-one

2,2-difluoro-1-thiomorpholin-4-ylpropan-1-one (PubChem CID 89027809) has the molecular formula C7H11F2NOS and a molecular weight of 195.23 g/mol. Its IUPAC name is 2,2-difluoro-1-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-thiomorpholin-4-ylpropan-1-one
PubChem CID89027809
Molecular FormulaC7H11F2NOS
Molecular Weight195.23 g/mol
Exact Mass195.05
IUPAC Name2,2-difluoro-1-thiomorpholin-4-ylpropan-1-one
SMILESCC(F)(F)C(=O)N1CCSCC1
InChIInChI=1S/C7H11F2NOS/c1-7(8,9)6(11)10-2-4-12-5-3-10/h2-5H2,1H3
InChIKeyZHSKOCUMDJBFFY-UHFFFAOYSA-N
XLogP1.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of 2,2-difluoro-1-thiomorpholin-4-ylpropan-1-one (CID 89027809) is 2,2-difluoro-1-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-1-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for 2,2-difluoro-1-thiomorpholin-4-ylpropan-1-one is CC(F)(F)C(=O)N1CCSCC1.
What is the InChIKey of 2,2-difluoro-1-thiomorpholin-4-ylpropan-1-one?
The InChIKey is ZHSKOCUMDJBFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NOS/c1-7(8,9)6(11)10-2-4-12-5-3-10/h2-5H2,1H3.
What are the key properties of 2,2-difluoro-1-thiomorpholin-4-ylpropan-1-one?
2,2-difluoro-1-thiomorpholin-4-ylpropan-1-one has a molecular weight of 195.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 89027809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).