4-[cyclopropyl(difluoro)methyl]benzenesulfinic acid

C10H10F2O2S — CID 156519145

IUPAC4-[cyclopropyl(difluoro)methyl]benzenesulfinic acid
SMILESO=S(O)c1ccc(C(F)(F)C2CC2)cc1
InChIInChI=1S/C10H10F2O2S/c11-10(12,7-1-2-7)8-3-5-9(6-4-8)15(13)14/h3-7H,1-2H2,(H,13,14)
InChIKeyGAEZUSBHBWTNQB-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.77
Rot. Bonds3

About 4-[cyclopropyl(difluoro)methyl]benzenesulfinic acid

4-[cyclopropyl(difluoro)methyl]benzenesulfinic acid (PubChem CID 156519145) has the molecular formula C10H10F2O2S and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-[cyclopropyl(difluoro)methyl]benzenesulfinic acid.

Molecular Properties

Compound Name4-[cyclopropyl(difluoro)methyl]benzenesulfinic acid
PubChem CID156519145
Molecular FormulaC10H10F2O2S
Molecular Weight232.25 g/mol
Exact Mass232.04
IUPAC Name4-[cyclopropyl(difluoro)methyl]benzenesulfinic acid
SMILESO=S(O)c1ccc(C(F)(F)C2CC2)cc1
InChIInChI=1S/C10H10F2O2S/c11-10(12,7-1-2-7)8-3-5-9(6-4-8)15(13)14/h3-7H,1-2H2,(H,13,14)
InChIKeyGAEZUSBHBWTNQB-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(difluoro)methyl]benzenesulfinic acid?
The IUPAC name of 4-[cyclopropyl(difluoro)methyl]benzenesulfinic acid (CID 156519145) is 4-[cyclopropyl(difluoro)methyl]benzenesulfinic acid.
What is the SMILES notation for 4-[cyclopropyl(difluoro)methyl]benzenesulfinic acid?
The canonical SMILES for 4-[cyclopropyl(difluoro)methyl]benzenesulfinic acid is O=S(O)c1ccc(C(F)(F)C2CC2)cc1.
What is the InChIKey of 4-[cyclopropyl(difluoro)methyl]benzenesulfinic acid?
The InChIKey is GAEZUSBHBWTNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2S/c11-10(12,7-1-2-7)8-3-5-9(6-4-8)15(13)14/h3-7H,1-2H2,(H,13,14).
What are the key properties of 4-[cyclopropyl(difluoro)methyl]benzenesulfinic acid?
4-[cyclopropyl(difluoro)methyl]benzenesulfinic acid has a molecular weight of 232.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(difluoro)methyl]benzenesulfinic acid is sourced from PubChem (CID 156519145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).