potassium 2-(benzenesulfonyl)-2,2-difluoroacetate

C8H5F2KO4S — CID 141480513

IUPACpotassium 2-(benzenesulfonyl)-2,2-difluoroacetate
SMILESO=C([O-])C(F)(F)S(=O)(=O)c1ccccc1.[K+]
InChIInChI=1S/C8H6F2O4S.K/c9-8(10,7(11)12)15(13,14)6-4-2-1-3-5-6;/h1-5H,(H,11,12);/q;+1/p-1
InChIKeyDLFNMROAVNTPJG-UHFFFAOYSA-M
MW274.28 g/mol
LogP-3.19
Rot. Bonds3

About potassium 2-(benzenesulfonyl)-2,2-difluoroacetate

potassium 2-(benzenesulfonyl)-2,2-difluoroacetate (PubChem CID 141480513) has the molecular formula C8H5F2KO4S and a molecular weight of 274.28 g/mol. Its IUPAC name is potassium 2-(benzenesulfonyl)-2,2-difluoroacetate.

Molecular Properties

Compound Namepotassium 2-(benzenesulfonyl)-2,2-difluoroacetate
PubChem CID141480513
Molecular FormulaC8H5F2KO4S
Molecular Weight274.28 g/mol
Exact Mass273.95
IUPAC Namepotassium 2-(benzenesulfonyl)-2,2-difluoroacetate
SMILESO=C([O-])C(F)(F)S(=O)(=O)c1ccccc1.[K+]
InChIInChI=1S/C8H6F2O4S.K/c9-8(10,7(11)12)15(13,14)6-4-2-1-3-5-6;/h1-5H,(H,11,12);/q;+1/p-1
InChIKeyDLFNMROAVNTPJG-UHFFFAOYSA-M
XLogP-3.19
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-3.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Phenylsulfonyl)acetic acid
CID 59543
Methyl phenylsulfonyl acetate
CID 555619
(4-Fluoro-benzenesulfonyl)-acetic acid
CID 128125
3-(Benzenesulfonyl)propanoic acid
CID 555252
Phenyl Trifluoromethyl Sulfone
CID 555605
Methyl 3-(phenylsulfonyl)propionate
CID 4193353
1-Fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl)benzene
CID 11005308
3-(Benzenesulfonyl)-1,1,1-trifluoropropan-2-one
CID 10848389
Acetic acid, 2-(3-fluorophenyl)sulfonyl-
CID 23423136
1,1-Difluoropentylphenyl sulfone
CID 12158449
(2,2,2-Trifluoroethyl)sulfonylbenzene
CID 12578046
3-(4-Fluorobenzenesulfonyl)propanoic acid
CID 712217

Frequently Asked Questions

What is the IUPAC name of potassium 2-(benzenesulfonyl)-2,2-difluoroacetate?
The IUPAC name of potassium 2-(benzenesulfonyl)-2,2-difluoroacetate (CID 141480513) is potassium 2-(benzenesulfonyl)-2,2-difluoroacetate.
What is the SMILES notation for potassium 2-(benzenesulfonyl)-2,2-difluoroacetate?
The canonical SMILES for potassium 2-(benzenesulfonyl)-2,2-difluoroacetate is O=C([O-])C(F)(F)S(=O)(=O)c1ccccc1.[K+].
What is the InChIKey of potassium 2-(benzenesulfonyl)-2,2-difluoroacetate?
The InChIKey is DLFNMROAVNTPJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6F2O4S.K/c9-8(10,7(11)12)15(13,14)6-4-2-1-3-5-6;/h1-5H,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 2-(benzenesulfonyl)-2,2-difluoroacetate?
potassium 2-(benzenesulfonyl)-2,2-difluoroacetate has a molecular weight of 274.28 g/mol, XLogP of -3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(benzenesulfonyl)-2,2-difluoroacetate is sourced from PubChem (CID 141480513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).