2,2,2-trifluoro-1-thiomorpholin-4-ylethanone

C6H8F3NOS — CID 62727859

IUPAC2,2,2-trifluoro-1-thiomorpholin-4-ylethanone
SMILESO=C(N1CCSCC1)C(F)(F)F
InChIInChI=1S/C6H8F3NOS/c7-6(8,9)5(11)10-1-3-12-4-2-10/h1-4H2
InChIKeyWOYFUWKWSPYQRN-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.12
Rot. Bonds

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

2,2,2-trifluoro-1-thiomorpholin-4-ylethanone (PubChem CID 62727859) has the molecular formula C6H8F3NOS and a molecular weight of 199.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-thiomorpholin-4-ylethanone
PubChem CID62727859
Molecular FormulaC6H8F3NOS
Molecular Weight199.20 g/mol
Exact Mass199.03
IUPAC Name2,2,2-trifluoro-1-thiomorpholin-4-ylethanone
SMILESO=C(N1CCSCC1)C(F)(F)F
InChIInChI=1S/C6H8F3NOS/c7-6(8,9)5(11)10-1-3-12-4-2-10/h1-4H2
InChIKeyWOYFUWKWSPYQRN-UHFFFAOYSA-N
XLogP1.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2,2,2-trifluoro-1-thiomorpholin-4-ylethanone (CID 62727859) is 2,2,2-trifluoro-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2,2,2-trifluoro-1-thiomorpholin-4-ylethanone is O=C(N1CCSCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-thiomorpholin-4-ylethanone?
The InChIKey is WOYFUWKWSPYQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NOS/c7-6(8,9)5(11)10-1-3-12-4-2-10/h1-4H2.
What are the key properties of 2,2,2-trifluoro-1-thiomorpholin-4-ylethanone?
2,2,2-trifluoro-1-thiomorpholin-4-ylethanone has a molecular weight of 199.20 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 62727859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).