2-fluoro-1,2-dimethylcyclopropane-1-sulfonic acid

C5H9FO3S — CID 90320459

IUPAC2-fluoro-1,2-dimethylcyclopropane-1-sulfonic acid
SMILESCC1(F)CC1(C)S(=O)(=O)O
InChIInChI=1S/C5H9FO3S/c1-4(6)3-5(4,2)10(7,8)9/h3H2,1-2H3,(H,7,8,9)
InChIKeyYDMDVQSYHIJIPU-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.76
Rot. Bonds1

About 2-fluoro-1,2-dimethylcyclopropane-1-sulfonic acid

2-fluoro-1,2-dimethylcyclopropane-1-sulfonic acid (PubChem CID 90320459) has the molecular formula C5H9FO3S and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-fluoro-1,2-dimethylcyclopropane-1-sulfonic acid.

Molecular Properties

Compound Name2-fluoro-1,2-dimethylcyclopropane-1-sulfonic acid
PubChem CID90320459
Molecular FormulaC5H9FO3S
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Name2-fluoro-1,2-dimethylcyclopropane-1-sulfonic acid
SMILESCC1(F)CC1(C)S(=O)(=O)O
InChIInChI=1S/C5H9FO3S/c1-4(6)3-5(4,2)10(7,8)9/h3H2,1-2H3,(H,7,8,9)
InChIKeyYDMDVQSYHIJIPU-UHFFFAOYSA-N
XLogP0.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.76
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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Related Compounds

2-Fluoropentane-2-sulfonic acid
CID 22718866
1-(2,3-Difluoropropyl)cyclopropane-1-sulfonic acid
CID 87577885
2-Fluoro-3-methylbutane-2-sulfonic acid
CID 139293228
3-Fluoro-2-methylpentane-3-sulfonic acid
CID 139293466
3-Fluoro-2,4-dimethylpentane-3-sulfonic acid
CID 139293469
3-Fluoropentane-3-sulfonic acid
CID 139293471
1-[(2R)-3-fluoro-2-methylpropyl]cyclopropane-1-sulfonic acid
CID 164148444
1-Fluoro-2-methylpropane-2-sulfonic acid
CID 160642199
1-Ethylcyclopropane-1-sulfonyl fluoride
CID 162341527
1-(2-Fluoroethyl)cyclopropane-1-sulfonyl chloride
CID 165490517
1-Methylcyclopropanesulfonic acid
CID 19357137
1-Ethylcyclopropane-1-sulfonic acid
CID 21889808

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,2-dimethylcyclopropane-1-sulfonic acid?
The IUPAC name of 2-fluoro-1,2-dimethylcyclopropane-1-sulfonic acid (CID 90320459) is 2-fluoro-1,2-dimethylcyclopropane-1-sulfonic acid.
What is the SMILES notation for 2-fluoro-1,2-dimethylcyclopropane-1-sulfonic acid?
The canonical SMILES for 2-fluoro-1,2-dimethylcyclopropane-1-sulfonic acid is CC1(F)CC1(C)S(=O)(=O)O.
What is the InChIKey of 2-fluoro-1,2-dimethylcyclopropane-1-sulfonic acid?
The InChIKey is YDMDVQSYHIJIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3S/c1-4(6)3-5(4,2)10(7,8)9/h3H2,1-2H3,(H,7,8,9).
What are the key properties of 2-fluoro-1,2-dimethylcyclopropane-1-sulfonic acid?
2-fluoro-1,2-dimethylcyclopropane-1-sulfonic acid has a molecular weight of 168.19 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,2-dimethylcyclopropane-1-sulfonic acid is sourced from PubChem (CID 90320459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).