2-(difluoromethylsulfanyl)-1-morpholin-4-ylethanone

C7H11F2NO2S — CID 57264886

IUPAC2-(difluoromethylsulfanyl)-1-morpholin-4-ylethanone
SMILESO=C(CSC(F)F)N1CCOCC1
InChIInChI=1S/C7H11F2NO2S/c8-7(9)13-5-6(11)10-1-3-12-4-2-10/h7H,1-5H2
InChIKeyBFZUDPZJHYFBTG-UHFFFAOYSA-N
MW211.23 g/mol
LogP0.80
Rot. Bonds3

About 2-(difluoromethylsulfanyl)-1-morpholin-4-ylethanone

2-(difluoromethylsulfanyl)-1-morpholin-4-ylethanone (PubChem CID 57264886) has the molecular formula C7H11F2NO2S and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-1-morpholin-4-ylethanone
PubChem CID57264886
Molecular FormulaC7H11F2NO2S
Molecular Weight211.23 g/mol
Exact Mass211.05
IUPAC Name2-(difluoromethylsulfanyl)-1-morpholin-4-ylethanone
SMILESO=C(CSC(F)F)N1CCOCC1
InChIInChI=1S/C7H11F2NO2S/c8-7(9)13-5-6(11)10-1-3-12-4-2-10/h7H,1-5H2
InChIKeyBFZUDPZJHYFBTG-UHFFFAOYSA-N
XLogP0.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(difluoromethylsulfanyl)-1-morpholin-4-ylethanone (CID 57264886) is 2-(difluoromethylsulfanyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(difluoromethylsulfanyl)-1-morpholin-4-ylethanone is O=C(CSC(F)F)N1CCOCC1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-1-morpholin-4-ylethanone?
The InChIKey is BFZUDPZJHYFBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2S/c8-7(9)13-5-6(11)10-1-3-12-4-2-10/h7H,1-5H2.
What are the key properties of 2-(difluoromethylsulfanyl)-1-morpholin-4-ylethanone?
2-(difluoromethylsulfanyl)-1-morpholin-4-ylethanone has a molecular weight of 211.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 57264886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).