1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride

C6H8F3NO4S — CID 2831230

IUPAC1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride
SMILESO=C(N1CCOCC1)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C6H8F3NO4S/c7-6(8,15(9,12)13)5(11)10-1-3-14-4-2-10/h1-4H2
InChIKeyRDYJBCANVHOIIC-UHFFFAOYSA-N
MW247.19 g/mol
LogP-0.26
Rot. Bonds2

About 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride

1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride (PubChem CID 2831230) has the molecular formula C6H8F3NO4S and a molecular weight of 247.19 g/mol. Its IUPAC name is 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride
PubChem CID2831230
Molecular FormulaC6H8F3NO4S
Molecular Weight247.19 g/mol
Exact Mass247.01
IUPAC Name1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride
SMILESO=C(N1CCOCC1)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C6H8F3NO4S/c7-6(8,15(9,12)13)5(11)10-1-3-14-4-2-10/h1-4H2
InChIKeyRDYJBCANVHOIIC-UHFFFAOYSA-N
XLogP-0.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride?
The IUPAC name of 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride (CID 2831230) is 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride.
What is the SMILES notation for 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride?
The canonical SMILES for 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride is O=C(N1CCOCC1)C(F)(F)S(=O)(=O)F.
What is the InChIKey of 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride?
The InChIKey is RDYJBCANVHOIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO4S/c7-6(8,15(9,12)13)5(11)10-1-3-14-4-2-10/h1-4H2.
What are the key properties of 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride?
1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride has a molecular weight of 247.19 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride is sourced from PubChem (CID 2831230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).