propyl 2-(3-fluoropropylsulfonyl)acetate

C8H15FO4S — CID 123324318

IUPACpropyl 2-(3-fluoropropylsulfonyl)acetate
SMILESCCCOC(=O)CS(=O)(=O)CCCF
InChIInChI=1S/C8H15FO4S/c1-2-5-13-8(10)7-14(11,12)6-3-4-9/h2-7H2,1H3
InChIKeyMNNKXKFYUAYWPM-UHFFFAOYSA-N
MW226.27 g/mol
LogP0.71
Rot. Bonds7

About propyl 2-(3-fluoropropylsulfonyl)acetate

propyl 2-(3-fluoropropylsulfonyl)acetate (PubChem CID 123324318) has the molecular formula C8H15FO4S and a molecular weight of 226.27 g/mol. Its IUPAC name is propyl 2-(3-fluoropropylsulfonyl)acetate.

Molecular Properties

Compound Namepropyl 2-(3-fluoropropylsulfonyl)acetate
PubChem CID123324318
Molecular FormulaC8H15FO4S
Molecular Weight226.27 g/mol
Exact Mass226.07
IUPAC Namepropyl 2-(3-fluoropropylsulfonyl)acetate
SMILESCCCOC(=O)CS(=O)(=O)CCCF
InChIInChI=1S/C8H15FO4S/c1-2-5-13-8(10)7-14(11,12)6-3-4-9/h2-7H2,1H3
InChIKeyMNNKXKFYUAYWPM-UHFFFAOYSA-N
XLogP0.71
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(3-fluoropropylsulfonyl)acetate?
The IUPAC name of propyl 2-(3-fluoropropylsulfonyl)acetate (CID 123324318) is propyl 2-(3-fluoropropylsulfonyl)acetate.
What is the SMILES notation for propyl 2-(3-fluoropropylsulfonyl)acetate?
The canonical SMILES for propyl 2-(3-fluoropropylsulfonyl)acetate is CCCOC(=O)CS(=O)(=O)CCCF.
What is the InChIKey of propyl 2-(3-fluoropropylsulfonyl)acetate?
The InChIKey is MNNKXKFYUAYWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO4S/c1-2-5-13-8(10)7-14(11,12)6-3-4-9/h2-7H2,1H3.
What are the key properties of propyl 2-(3-fluoropropylsulfonyl)acetate?
propyl 2-(3-fluoropropylsulfonyl)acetate has a molecular weight of 226.27 g/mol, XLogP of 0.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(3-fluoropropylsulfonyl)acetate is sourced from PubChem (CID 123324318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).