(2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate

C8H14F2O4S — CID 143779600

IUPAC(2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC(F)(F)S(C)(=O)=O
InChIInChI=1S/C8H14F2O4S/c1-7(2,3)6(11)14-5-8(9,10)15(4,12)13/h5H2,1-4H3
InChIKeyBHGZIQVEWOQXMB-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.21
Rot. Bonds3

About (2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate

(2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate (PubChem CID 143779600) has the molecular formula C8H14F2O4S and a molecular weight of 244.26 g/mol. Its IUPAC name is (2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate
PubChem CID143779600
Molecular FormulaC8H14F2O4S
Molecular Weight244.26 g/mol
Exact Mass244.06
IUPAC Name(2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC(F)(F)S(C)(=O)=O
InChIInChI=1S/C8H14F2O4S/c1-7(2,3)6(11)14-5-8(9,10)15(4,12)13/h5H2,1-4H3
InChIKeyBHGZIQVEWOQXMB-UHFFFAOYSA-N
XLogP1.21
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

disodium;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonic acid;sulfate
CID 172748865
2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfinic acid
CID 58112903
(2,2-difluoro-2-methylsulfonylethyl) ethylsulfanylformate
CID 59266964
sodium;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfinic acid;hydride
CID 173011787
(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate
CID 10583373
[2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethyl]sulfonyloxidanium
CID 123275050
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
CID 175568582
2-(2,2,2-trifluoroacetyl)oxyethyl 2,2-dimethylpropanoate
CID 90159990
(3-chlorosulfonyloxy-2,2-dimethylpropyl) 2,2-dimethylpropanoate
CID 135339163
[(1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 176768542
1,1-difluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethanesulfonic acid
CID 59266970

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate?
The IUPAC name of (2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate (CID 143779600) is (2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate?
The canonical SMILES for (2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC(F)(F)S(C)(=O)=O.
What is the InChIKey of (2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate?
The InChIKey is BHGZIQVEWOQXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O4S/c1-7(2,3)6(11)14-5-8(9,10)15(4,12)13/h5H2,1-4H3.
What are the key properties of (2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate?
(2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate has a molecular weight of 244.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 143779600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).