2,2-difluoro-1-thiomorpholin-4-ylethanone

C6H9F2NOS — CID 103515270

IUPAC2,2-difluoro-1-thiomorpholin-4-ylethanone
SMILESO=C(C(F)F)N1CCSCC1
InChIInChI=1S/C6H9F2NOS/c7-5(8)6(10)9-1-3-11-4-2-9/h5H,1-4H2
InChIKeyLXPZUWVISQBGGH-UHFFFAOYSA-N
MW181.21 g/mol
LogP0.83
Rot. Bonds1

About 2,2-difluoro-1-thiomorpholin-4-ylethanone

2,2-difluoro-1-thiomorpholin-4-ylethanone (PubChem CID 103515270) has the molecular formula C6H9F2NOS and a molecular weight of 181.21 g/mol. Its IUPAC name is 2,2-difluoro-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2,2-difluoro-1-thiomorpholin-4-ylethanone
PubChem CID103515270
Molecular FormulaC6H9F2NOS
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name2,2-difluoro-1-thiomorpholin-4-ylethanone
SMILESO=C(C(F)F)N1CCSCC1
InChIInChI=1S/C6H9F2NOS/c7-5(8)6(10)9-1-3-11-4-2-9/h5H,1-4H2
InChIKeyLXPZUWVISQBGGH-UHFFFAOYSA-N
XLogP0.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 50.83
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-ylethanone?
The IUPAC name of 2,2-difluoro-1-thiomorpholin-4-ylethanone (CID 103515270) is 2,2-difluoro-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2,2-difluoro-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2,2-difluoro-1-thiomorpholin-4-ylethanone is O=C(C(F)F)N1CCSCC1.
What is the InChIKey of 2,2-difluoro-1-thiomorpholin-4-ylethanone?
The InChIKey is LXPZUWVISQBGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NOS/c7-5(8)6(10)9-1-3-11-4-2-9/h5H,1-4H2.
What are the key properties of 2,2-difluoro-1-thiomorpholin-4-ylethanone?
2,2-difluoro-1-thiomorpholin-4-ylethanone has a molecular weight of 181.21 g/mol, XLogP of 0.83, 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-ylethanone is sourced from PubChem (CID 103515270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).