difluoro(naphthalen-2-yl)methanesulfonic acid

C11H8F2O3S — CID 10706701

IUPACdifluoro(naphthalen-2-yl)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)c1ccc2ccccc2c1
InChIInChI=1S/C11H8F2O3S/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,14,15,16)
InChIKeyGOESXSQUFQHLQQ-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.78
Rot. Bonds2

About difluoro(naphthalen-2-yl)methanesulfonic acid

difluoro(naphthalen-2-yl)methanesulfonic acid (PubChem CID 10706701) has the molecular formula C11H8F2O3S and a molecular weight of 258.25 g/mol. Its IUPAC name is difluoro(naphthalen-2-yl)methanesulfonic acid.

Molecular Properties

Compound Namedifluoro(naphthalen-2-yl)methanesulfonic acid
PubChem CID10706701
Molecular FormulaC11H8F2O3S
Molecular Weight258.25 g/mol
Exact Mass258.02
IUPAC Namedifluoro(naphthalen-2-yl)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)c1ccc2ccccc2c1
InChIInChI=1S/C11H8F2O3S/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,14,15,16)
InChIKeyGOESXSQUFQHLQQ-UHFFFAOYSA-N
XLogP2.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.78
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 difluoro(naphthalen-2-yl)methanesulfonic acid?
The IUPAC name of difluoro(naphthalen-2-yl)methanesulfonic acid (CID 10706701) is difluoro(naphthalen-2-yl)methanesulfonic acid.
What is the SMILES notation for difluoro(naphthalen-2-yl)methanesulfonic acid?
The canonical SMILES for difluoro(naphthalen-2-yl)methanesulfonic acid is O=S(=O)(O)C(F)(F)c1ccc2ccccc2c1.
What is the InChIKey of difluoro(naphthalen-2-yl)methanesulfonic acid?
The InChIKey is GOESXSQUFQHLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2O3S/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,14,15,16).
What are the key properties of difluoro(naphthalen-2-yl)methanesulfonic acid?
difluoro(naphthalen-2-yl)methanesulfonic acid has a molecular weight of 258.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(naphthalen-2-yl)methanesulfonic acid is sourced from PubChem (CID 10706701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).