2-(3,3-difluoropropylsulfanyl)propanoic acid

C6H10F2O2S — CID 84659551

IUPAC2-(3,3-difluoropropylsulfanyl)propanoic acid
SMILESCC(SCCC(F)F)C(=O)O
InChIInChI=1S/C6H10F2O2S/c1-4(6(9)10)11-3-2-5(7)8/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyWATRBVHSZUCMMH-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.85
Rot. Bonds5

About 2-(3,3-difluoropropylsulfanyl)propanoic acid

2-(3,3-difluoropropylsulfanyl)propanoic acid (PubChem CID 84659551) has the molecular formula C6H10F2O2S and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-(3,3-difluoropropylsulfanyl)propanoic acid.

Molecular Properties

Compound Name2-(3,3-difluoropropylsulfanyl)propanoic acid
PubChem CID84659551
Molecular FormulaC6H10F2O2S
Molecular Weight184.21 g/mol
Exact Mass184.04
IUPAC Name2-(3,3-difluoropropylsulfanyl)propanoic acid
SMILESCC(SCCC(F)F)C(=O)O
InChIInChI=1S/C6H10F2O2S/c1-4(6(9)10)11-3-2-5(7)8/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyWATRBVHSZUCMMH-UHFFFAOYSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropropylsulfanyl)propanoic acid?
The IUPAC name of 2-(3,3-difluoropropylsulfanyl)propanoic acid (CID 84659551) is 2-(3,3-difluoropropylsulfanyl)propanoic acid.
What is the SMILES notation for 2-(3,3-difluoropropylsulfanyl)propanoic acid?
The canonical SMILES for 2-(3,3-difluoropropylsulfanyl)propanoic acid is CC(SCCC(F)F)C(=O)O.
What is the InChIKey of 2-(3,3-difluoropropylsulfanyl)propanoic acid?
The InChIKey is WATRBVHSZUCMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2S/c1-4(6(9)10)11-3-2-5(7)8/h4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-(3,3-difluoropropylsulfanyl)propanoic acid?
2-(3,3-difluoropropylsulfanyl)propanoic acid has a molecular weight of 184.21 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropropylsulfanyl)propanoic acid is sourced from PubChem (CID 84659551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).