ethyl 2-(3-fluoropropylsulfonyl)acetate

C7H13FO4S — CID 123405174

IUPACethyl 2-(3-fluoropropylsulfonyl)acetate
SMILESCCOC(=O)CS(=O)(=O)CCCF
InChIInChI=1S/C7H13FO4S/c1-2-12-7(9)6-13(10,11)5-3-4-8/h2-6H2,1H3
InChIKeyRVTFKKGTRDNQMJ-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.32
Rot. Bonds6

About ethyl 2-(3-fluoropropylsulfonyl)acetate

ethyl 2-(3-fluoropropylsulfonyl)acetate (PubChem CID 123405174) has the molecular formula C7H13FO4S and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl 2-(3-fluoropropylsulfonyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-fluoropropylsulfonyl)acetate
PubChem CID123405174
Molecular FormulaC7H13FO4S
Molecular Weight212.24 g/mol
Exact Mass212.05
IUPAC Nameethyl 2-(3-fluoropropylsulfonyl)acetate
SMILESCCOC(=O)CS(=O)(=O)CCCF
InChIInChI=1S/C7H13FO4S/c1-2-12-7(9)6-13(10,11)5-3-4-8/h2-6H2,1H3
InChIKeyRVTFKKGTRDNQMJ-UHFFFAOYSA-N
XLogP0.32
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoropropylsulfonyl)acetate?
The IUPAC name of ethyl 2-(3-fluoropropylsulfonyl)acetate (CID 123405174) is ethyl 2-(3-fluoropropylsulfonyl)acetate.
What is the SMILES notation for ethyl 2-(3-fluoropropylsulfonyl)acetate?
The canonical SMILES for ethyl 2-(3-fluoropropylsulfonyl)acetate is CCOC(=O)CS(=O)(=O)CCCF.
What is the InChIKey of ethyl 2-(3-fluoropropylsulfonyl)acetate?
The InChIKey is RVTFKKGTRDNQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO4S/c1-2-12-7(9)6-13(10,11)5-3-4-8/h2-6H2,1H3.
What are the key properties of ethyl 2-(3-fluoropropylsulfonyl)acetate?
ethyl 2-(3-fluoropropylsulfonyl)acetate has a molecular weight of 212.24 g/mol, XLogP of 0.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoropropylsulfonyl)acetate is sourced from PubChem (CID 123405174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).