2-(3,3-difluoropropylsulfonyl)pentanoic acid

C8H14F2O4S — CID 87340384

IUPAC2-(3,3-difluoropropylsulfonyl)pentanoic acid
SMILESCCCC(C(=O)O)S(=O)(=O)CCC(F)F
InChIInChI=1S/C8H14F2O4S/c1-2-3-6(8(11)12)15(13,14)5-4-7(9)10/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyLOFQJMDSFSBSTE-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.31
Rot. Bonds7

About 2-(3,3-difluoropropylsulfonyl)pentanoic acid

2-(3,3-difluoropropylsulfonyl)pentanoic acid (PubChem CID 87340384) has the molecular formula C8H14F2O4S and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-(3,3-difluoropropylsulfonyl)pentanoic acid.

Molecular Properties

Compound Name2-(3,3-difluoropropylsulfonyl)pentanoic acid
PubChem CID87340384
Molecular FormulaC8H14F2O4S
Molecular Weight244.26 g/mol
Exact Mass244.06
IUPAC Name2-(3,3-difluoropropylsulfonyl)pentanoic acid
SMILESCCCC(C(=O)O)S(=O)(=O)CCC(F)F
InChIInChI=1S/C8H14F2O4S/c1-2-3-6(8(11)12)15(13,14)5-4-7(9)10/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyLOFQJMDSFSBSTE-UHFFFAOYSA-N
XLogP1.31
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,3-difluoropropylsulfonyl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropropylsulfonyl)pentanoic acid?
The IUPAC name of 2-(3,3-difluoropropylsulfonyl)pentanoic acid (CID 87340384) is 2-(3,3-difluoropropylsulfonyl)pentanoic acid.
What is the SMILES notation for 2-(3,3-difluoropropylsulfonyl)pentanoic acid?
The canonical SMILES for 2-(3,3-difluoropropylsulfonyl)pentanoic acid is CCCC(C(=O)O)S(=O)(=O)CCC(F)F.
What is the InChIKey of 2-(3,3-difluoropropylsulfonyl)pentanoic acid?
The InChIKey is LOFQJMDSFSBSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O4S/c1-2-3-6(8(11)12)15(13,14)5-4-7(9)10/h6-7H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-(3,3-difluoropropylsulfonyl)pentanoic acid?
2-(3,3-difluoropropylsulfonyl)pentanoic acid has a molecular weight of 244.26 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropropylsulfonyl)pentanoic acid is sourced from PubChem (CID 87340384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).