2-(3-fluoropropylsulfonyl)hexanoic acid

C9H17FO4S — CID 87340956

IUPAC2-(3-fluoropropylsulfonyl)hexanoic acid
SMILESCCCCC(C(=O)O)S(=O)(=O)CCCF
InChIInChI=1S/C9H17FO4S/c1-2-3-5-8(9(11)12)15(13,14)7-4-6-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyJGYDANJIZWGELU-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.40
Rot. Bonds8

About 2-(3-fluoropropylsulfonyl)hexanoic acid

2-(3-fluoropropylsulfonyl)hexanoic acid (PubChem CID 87340956) has the molecular formula C9H17FO4S and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfonyl)hexanoic acid.

Molecular Properties

Compound Name2-(3-fluoropropylsulfonyl)hexanoic acid
PubChem CID87340956
Molecular FormulaC9H17FO4S
Molecular Weight240.30 g/mol
Exact Mass240.08
IUPAC Name2-(3-fluoropropylsulfonyl)hexanoic acid
SMILESCCCCC(C(=O)O)S(=O)(=O)CCCF
InChIInChI=1S/C9H17FO4S/c1-2-3-5-8(9(11)12)15(13,14)7-4-6-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyJGYDANJIZWGELU-UHFFFAOYSA-N
XLogP1.40
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylsulfonyl)hexanoic acid?
The IUPAC name of 2-(3-fluoropropylsulfonyl)hexanoic acid (CID 87340956) is 2-(3-fluoropropylsulfonyl)hexanoic acid.
What is the SMILES notation for 2-(3-fluoropropylsulfonyl)hexanoic acid?
The canonical SMILES for 2-(3-fluoropropylsulfonyl)hexanoic acid is CCCCC(C(=O)O)S(=O)(=O)CCCF.
What is the InChIKey of 2-(3-fluoropropylsulfonyl)hexanoic acid?
The InChIKey is JGYDANJIZWGELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO4S/c1-2-3-5-8(9(11)12)15(13,14)7-4-6-10/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-(3-fluoropropylsulfonyl)hexanoic acid?
2-(3-fluoropropylsulfonyl)hexanoic acid has a molecular weight of 240.30 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfonyl)hexanoic acid is sourced from PubChem (CID 87340956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).