2-(3-fluoropropylsulfonyl)pentanoic acid

C8H15FO4S — CID 87339949

IUPAC2-(3-fluoropropylsulfonyl)pentanoic acid
SMILESCCCC(C(=O)O)S(=O)(=O)CCCF
InChIInChI=1S/C8H15FO4S/c1-2-4-7(8(10)11)14(12,13)6-3-5-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyLWNLLKBAZDOINP-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.01
Rot. Bonds7

About 2-(3-fluoropropylsulfonyl)pentanoic acid

2-(3-fluoropropylsulfonyl)pentanoic acid (PubChem CID 87339949) has the molecular formula C8H15FO4S and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfonyl)pentanoic acid.

Molecular Properties

Compound Name2-(3-fluoropropylsulfonyl)pentanoic acid
PubChem CID87339949
Molecular FormulaC8H15FO4S
Molecular Weight226.27 g/mol
Exact Mass226.07
IUPAC Name2-(3-fluoropropylsulfonyl)pentanoic acid
SMILESCCCC(C(=O)O)S(=O)(=O)CCCF
InChIInChI=1S/C8H15FO4S/c1-2-4-7(8(10)11)14(12,13)6-3-5-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyLWNLLKBAZDOINP-UHFFFAOYSA-N
XLogP1.01
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-Dioxo-1lambda6-thiolane-2-carboxylic acid
CID 284518
4-(Ethylsulfonyl)butanoic acid
CID 43444434
5,5'-Sulfonyldivaleric acid
CID 12405380
5,5,6,6,6-Pentafluoro-2-propylsulfonylhexanoic acid
CID 57788346
2-(3-Fluoropropylsulfonyl)propanoic acid
CID 81105442
5,5,6,6,6-Pentafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanoic acid
CID 86632846
5,5,6,6,6-Pentafluoro-2-(3,3,4,4,4-pentafluorobutylsulfonyl)hexanoic acid
CID 86632851
2-(3,3,3-Trifluoropropylsulfonyl)butanoic acid
CID 87203229
2-(3,3,4,4,4-Pentafluorobutylsulfonyl)butanoic acid
CID 87316198
2-(3-Fluoropropylsulfinyl)hexanoic acid
CID 87340223
2-(3-Fluoropropylsulfonyl)-3-methylbutanoic acid
CID 87340278
2-(3,3-Difluoropropylsulfonyl)pentanoic acid
CID 87340384

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylsulfonyl)pentanoic acid?
The IUPAC name of 2-(3-fluoropropylsulfonyl)pentanoic acid (CID 87339949) is 2-(3-fluoropropylsulfonyl)pentanoic acid.
What is the SMILES notation for 2-(3-fluoropropylsulfonyl)pentanoic acid?
The canonical SMILES for 2-(3-fluoropropylsulfonyl)pentanoic acid is CCCC(C(=O)O)S(=O)(=O)CCCF.
What is the InChIKey of 2-(3-fluoropropylsulfonyl)pentanoic acid?
The InChIKey is LWNLLKBAZDOINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO4S/c1-2-4-7(8(10)11)14(12,13)6-3-5-9/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(3-fluoropropylsulfonyl)pentanoic acid?
2-(3-fluoropropylsulfonyl)pentanoic acid has a molecular weight of 226.27 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfonyl)pentanoic acid is sourced from PubChem (CID 87339949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).