1-(2,3-difluoropropyl)cyclopropane-1-sulfonic acid

C6H10F2O3S — CID 87577885

IUPAC1-(2,3-difluoropropyl)cyclopropane-1-sulfonic acid
SMILESO=S(=O)(O)C1(CC(F)CF)CC1
InChIInChI=1S/C6H10F2O3S/c7-4-5(8)3-6(1-2-6)12(9,10)11/h5H,1-4H2,(H,9,10,11)
InChIKeyAUJQNJBENKBMDQ-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.10
Rot. Bonds4

About 1-(2,3-difluoropropyl)cyclopropane-1-sulfonic acid

1-(2,3-difluoropropyl)cyclopropane-1-sulfonic acid (PubChem CID 87577885) has the molecular formula C6H10F2O3S and a molecular weight of 200.21 g/mol. Its IUPAC name is 1-(2,3-difluoropropyl)cyclopropane-1-sulfonic acid.

Molecular Properties

Compound Name1-(2,3-difluoropropyl)cyclopropane-1-sulfonic acid
PubChem CID87577885
Molecular FormulaC6H10F2O3S
Molecular Weight200.21 g/mol
Exact Mass200.03
IUPAC Name1-(2,3-difluoropropyl)cyclopropane-1-sulfonic acid
SMILESO=S(=O)(O)C1(CC(F)CF)CC1
InChIInChI=1S/C6H10F2O3S/c7-4-5(8)3-6(1-2-6)12(9,10)11/h5H,1-4H2,(H,9,10,11)
InChIKeyAUJQNJBENKBMDQ-UHFFFAOYSA-N
XLogP1.10
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoropropyl)cyclopropane-1-sulfonic acid?
The IUPAC name of 1-(2,3-difluoropropyl)cyclopropane-1-sulfonic acid (CID 87577885) is 1-(2,3-difluoropropyl)cyclopropane-1-sulfonic acid.
What is the SMILES notation for 1-(2,3-difluoropropyl)cyclopropane-1-sulfonic acid?
The canonical SMILES for 1-(2,3-difluoropropyl)cyclopropane-1-sulfonic acid is O=S(=O)(O)C1(CC(F)CF)CC1.
What is the InChIKey of 1-(2,3-difluoropropyl)cyclopropane-1-sulfonic acid?
The InChIKey is AUJQNJBENKBMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O3S/c7-4-5(8)3-6(1-2-6)12(9,10)11/h5H,1-4H2,(H,9,10,11).
What are the key properties of 1-(2,3-difluoropropyl)cyclopropane-1-sulfonic acid?
1-(2,3-difluoropropyl)cyclopropane-1-sulfonic acid has a molecular weight of 200.21 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoropropyl)cyclopropane-1-sulfonic acid is sourced from PubChem (CID 87577885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).