difluoro-(3-phenylphenyl)methanesulfonic acid

C13H10F2O3S — CID 10018011

IUPACdifluoro-(3-phenylphenyl)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H10F2O3S/c14-13(15,19(16,17)18)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,16,17,18)
InChIKeyGDEQQQYPUPWGAF-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.29
Rot. Bonds3

About difluoro-(3-phenylphenyl)methanesulfonic acid

difluoro-(3-phenylphenyl)methanesulfonic acid (PubChem CID 10018011) has the molecular formula C13H10F2O3S and a molecular weight of 284.28 g/mol. Its IUPAC name is difluoro-(3-phenylphenyl)methanesulfonic acid.

Molecular Properties

Compound Namedifluoro-(3-phenylphenyl)methanesulfonic acid
PubChem CID10018011
Molecular FormulaC13H10F2O3S
Molecular Weight284.28 g/mol
Exact Mass284.03
IUPAC Namedifluoro-(3-phenylphenyl)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H10F2O3S/c14-13(15,19(16,17)18)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,16,17,18)
InChIKeyGDEQQQYPUPWGAF-UHFFFAOYSA-N
XLogP3.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.29
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-(3-phenylphenyl)methanesulfonic acid?
The IUPAC name of difluoro-(3-phenylphenyl)methanesulfonic acid (CID 10018011) is difluoro-(3-phenylphenyl)methanesulfonic acid.
What is the SMILES notation for difluoro-(3-phenylphenyl)methanesulfonic acid?
The canonical SMILES for difluoro-(3-phenylphenyl)methanesulfonic acid is O=S(=O)(O)C(F)(F)c1cccc(-c2ccccc2)c1.
What is the InChIKey of difluoro-(3-phenylphenyl)methanesulfonic acid?
The InChIKey is GDEQQQYPUPWGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O3S/c14-13(15,19(16,17)18)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,16,17,18).
What are the key properties of difluoro-(3-phenylphenyl)methanesulfonic acid?
difluoro-(3-phenylphenyl)methanesulfonic acid has a molecular weight of 284.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(3-phenylphenyl)methanesulfonic acid is sourced from PubChem (CID 10018011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).