2-(3-fluoropropylsulfonyl)butanoic acid

C7H13FO4S — CID 87340525

IUPAC2-(3-fluoropropylsulfonyl)butanoic acid
SMILESCCC(C(=O)O)S(=O)(=O)CCCF
InChIInChI=1S/C7H13FO4S/c1-2-6(7(9)10)13(11,12)5-3-4-8/h6H,2-5H2,1H3,(H,9,10)
InChIKeyUVMTUVASVNKMAV-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.62
Rot. Bonds6

About 2-(3-fluoropropylsulfonyl)butanoic acid

2-(3-fluoropropylsulfonyl)butanoic acid (PubChem CID 87340525) has the molecular formula C7H13FO4S and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfonyl)butanoic acid.

Molecular Properties

Compound Name2-(3-fluoropropylsulfonyl)butanoic acid
PubChem CID87340525
Molecular FormulaC7H13FO4S
Molecular Weight212.24 g/mol
Exact Mass212.05
IUPAC Name2-(3-fluoropropylsulfonyl)butanoic acid
SMILESCCC(C(=O)O)S(=O)(=O)CCCF
InChIInChI=1S/C7H13FO4S/c1-2-6(7(9)10)13(11,12)5-3-4-8/h6H,2-5H2,1H3,(H,9,10)
InChIKeyUVMTUVASVNKMAV-UHFFFAOYSA-N
XLogP0.62
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

3,3'-Sulfonylbis(propanoic acid)
CID 80512
3-(Butylsulphonyl)-propanoic acid
CID 4290313
3-(Methylsulfonyl)propanoic acid
CID 120308
2-(Butane-1-sulfonyl)acetic acid
CID 5302379
2-(Propane-2-sulfonyl)propanoic acid
CID 24692632
2-(Propane-1-sulfonyl)propanoic acid
CID 24701506
3-(2-Methylpropanesulfonyl)propanoic acid
CID 24710331
4-Methanesulfonylbutanoic acid
CID 17866982
2-(Methylsulfonyl)propanoic acid
CID 19085957
4-(Ethylsulfonyl)butanoic acid
CID 43444434
1-(Ethylsulfonyl)cyclopropanecarboxylic acid
CID 68735883
3-(Propylsulfonyl)propanoic Acid
CID 24711440

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylsulfonyl)butanoic acid?
The IUPAC name of 2-(3-fluoropropylsulfonyl)butanoic acid (CID 87340525) is 2-(3-fluoropropylsulfonyl)butanoic acid.
What is the SMILES notation for 2-(3-fluoropropylsulfonyl)butanoic acid?
The canonical SMILES for 2-(3-fluoropropylsulfonyl)butanoic acid is CCC(C(=O)O)S(=O)(=O)CCCF.
What is the InChIKey of 2-(3-fluoropropylsulfonyl)butanoic acid?
The InChIKey is UVMTUVASVNKMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO4S/c1-2-6(7(9)10)13(11,12)5-3-4-8/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-(3-fluoropropylsulfonyl)butanoic acid?
2-(3-fluoropropylsulfonyl)butanoic acid has a molecular weight of 212.24 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfonyl)butanoic acid is sourced from PubChem (CID 87340525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).