2-(3-fluoropropylsulfonyl)-2-methylpropanoic acid

C7H13FO4S — CID 81230419

IUPAC2-(3-fluoropropylsulfonyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)CCCF
InChIInChI=1S/C7H13FO4S/c1-7(2,6(9)10)13(11,12)5-3-4-8/h3-5H2,1-2H3,(H,9,10)
InChIKeyYZDBDZWOMGWHCX-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.62
Rot. Bonds5

About 2-(3-fluoropropylsulfonyl)-2-methylpropanoic acid

2-(3-fluoropropylsulfonyl)-2-methylpropanoic acid (PubChem CID 81230419) has the molecular formula C7H13FO4S and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfonyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-fluoropropylsulfonyl)-2-methylpropanoic acid
PubChem CID81230419
Molecular FormulaC7H13FO4S
Molecular Weight212.24 g/mol
Exact Mass212.05
IUPAC Name2-(3-fluoropropylsulfonyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)CCCF
InChIInChI=1S/C7H13FO4S/c1-7(2,6(9)10)13(11,12)5-3-4-8/h3-5H2,1-2H3,(H,9,10)
InChIKeyYZDBDZWOMGWHCX-UHFFFAOYSA-N
XLogP0.62
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylsulfonyl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-fluoropropylsulfonyl)-2-methylpropanoic acid (CID 81230419) is 2-(3-fluoropropylsulfonyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-fluoropropylsulfonyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-fluoropropylsulfonyl)-2-methylpropanoic acid is CC(C)(C(=O)O)S(=O)(=O)CCCF.
What is the InChIKey of 2-(3-fluoropropylsulfonyl)-2-methylpropanoic acid?
The InChIKey is YZDBDZWOMGWHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO4S/c1-7(2,6(9)10)13(11,12)5-3-4-8/h3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-(3-fluoropropylsulfonyl)-2-methylpropanoic acid?
2-(3-fluoropropylsulfonyl)-2-methylpropanoic acid has a molecular weight of 212.24 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfonyl)-2-methylpropanoic acid is sourced from PubChem (CID 81230419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).