2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetic acid

C8H13FO4S — CID 80694876

IUPAC2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)(=O)CCF)CC1
InChIInChI=1S/C8H13FO4S/c9-3-4-14(12,13)6-8(1-2-8)5-7(10)11/h1-6H2,(H,10,11)
InChIKeyONXLTMUHNUJLKG-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.63
Rot. Bonds6

About 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetic acid

2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetic acid (PubChem CID 80694876) has the molecular formula C8H13FO4S and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetic acid
PubChem CID80694876
Molecular FormulaC8H13FO4S
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)(=O)CCF)CC1
InChIInChI=1S/C8H13FO4S/c9-3-4-14(12,13)6-8(1-2-8)5-7(10)11/h1-6H2,(H,10,11)
InChIKeyONXLTMUHNUJLKG-UHFFFAOYSA-N
XLogP0.63
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetic acid (CID 80694876) is 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetic acid is O=C(O)CC1(CS(=O)(=O)CCF)CC1.
What is the InChIKey of 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetic acid?
The InChIKey is ONXLTMUHNUJLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO4S/c9-3-4-14(12,13)6-8(1-2-8)5-7(10)11/h1-6H2,(H,10,11).
What are the key properties of 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetic acid?
2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetic acid has a molecular weight of 224.25 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 80694876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).