methyl 2-fluoro-2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate

C14H14F2O5S — CID 67266805

IUPACmethyl 2-fluoro-2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate
SMILESCOC(=O)C(F)(C1CCC(=O)C1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H14F2O5S/c1-21-13(18)14(16,9-5-6-11(17)7-9)22(19,20)12-4-2-3-10(15)8-12/h2-4,8-9H,5-7H2,1H3
InChIKeyICNZMONCZTXORJ-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.81
Rot. Bonds4

About methyl 2-fluoro-2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate

methyl 2-fluoro-2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate (PubChem CID 67266805) has the molecular formula C14H14F2O5S and a molecular weight of 332.32 g/mol. Its IUPAC name is methyl 2-fluoro-2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate.

Molecular Properties

Compound Namemethyl 2-fluoro-2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate
PubChem CID67266805
Molecular FormulaC14H14F2O5S
Molecular Weight332.32 g/mol
Exact Mass332.05
IUPAC Namemethyl 2-fluoro-2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate
SMILESCOC(=O)C(F)(C1CCC(=O)C1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H14F2O5S/c1-21-13(18)14(16,9-5-6-11(17)7-9)22(19,20)12-4-2-3-10(15)8-12/h2-4,8-9H,5-7H2,1H3
InChIKeyICNZMONCZTXORJ-UHFFFAOYSA-N
XLogP1.81
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,5-Difluoro-5-(phenylsulfonyl)pentyl cyclohexanecarboxylate
CID 163297687
Methyl 3-(difluoro(phenylsulfonyl)methyl)cyclopentane-1-carboxylate
CID 163297805
Cyclopentanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester
CID 86468
Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester
CID 93583
Ethyl 2-(benzenesulfonyl)-2-fluoro-5-oxohexanoate
CID 14489796
(RS,SR)-benzenesulfonyl-fluoro-(3-oxo-cyclopentyl)-acetic acid methyl ester
CID 67266687
Methyl 2-(3,4-difluorophenyl)sulfonyl-2-(3-oxocyclohexyl)acetate
CID 67266812
Methyl 2-(4-fluorophenyl)sulfonyl-2-(3-oxocyclohexyl)propanoate
CID 67266822
(RS,SR)-benzenesulfonyl-fluoro-(3-oxo-cyclohexyl)-acetic acid methyl ester
CID 67266827
Methyl 2-fluoro-2-(4-fluorophenyl)sulfonyl-2-(3-oxocyclohexyl)acetate
CID 67266841
Methyl 2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate
CID 67266948
Methyl 2-(3,4-difluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate
CID 67267346

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate?
The IUPAC name of methyl 2-fluoro-2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate (CID 67266805) is methyl 2-fluoro-2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate.
What is the SMILES notation for methyl 2-fluoro-2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate?
The canonical SMILES for methyl 2-fluoro-2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate is COC(=O)C(F)(C1CCC(=O)C1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of methyl 2-fluoro-2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate?
The InChIKey is ICNZMONCZTXORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2O5S/c1-21-13(18)14(16,9-5-6-11(17)7-9)22(19,20)12-4-2-3-10(15)8-12/h2-4,8-9H,5-7H2,1H3.
What are the key properties of methyl 2-fluoro-2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate?
methyl 2-fluoro-2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate has a molecular weight of 332.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-2-(3-fluorophenyl)sulfonyl-2-(3-oxocyclopentyl)acetate is sourced from PubChem (CID 67266805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).