benzoic acid;sulfuryl difluoride

C7H6F2O4S — CID 22153377

IUPACbenzoic acid;sulfuryl difluoride
SMILESO=C(O)c1ccccc1.O=S(=O)(F)F
InChIInChI=1S/C7H6O2.F2O2S/c8-7(9)6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,(H,8,9);
InChIKeyLSEFFOPASZUSIU-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.55
Rot. Bonds1

About benzoic acid;sulfuryl difluoride

benzoic acid;sulfuryl difluoride (PubChem CID 22153377) has the molecular formula C7H6F2O4S and a molecular weight of 224.18 g/mol. Its IUPAC name is benzoic acid;sulfuryl difluoride.

Molecular Properties

Compound Namebenzoic acid;sulfuryl difluoride
PubChem CID22153377
Molecular FormulaC7H6F2O4S
Molecular Weight224.18 g/mol
Exact Mass224.00
IUPAC Namebenzoic acid;sulfuryl difluoride
SMILESO=C(O)c1ccccc1.O=S(=O)(F)F
InChIInChI=1S/C7H6O2.F2O2S/c8-7(9)6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,(H,8,9);
InChIKeyLSEFFOPASZUSIU-UHFFFAOYSA-N
XLogP1.55
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;sulfuryl difluoride?
The IUPAC name of benzoic acid;sulfuryl difluoride (CID 22153377) is benzoic acid;sulfuryl difluoride.
What is the SMILES notation for benzoic acid;sulfuryl difluoride?
The canonical SMILES for benzoic acid;sulfuryl difluoride is O=C(O)c1ccccc1.O=S(=O)(F)F.
What is the InChIKey of benzoic acid;sulfuryl difluoride?
The InChIKey is LSEFFOPASZUSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.F2O2S/c8-7(9)6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,(H,8,9);.
What are the key properties of benzoic acid;sulfuryl difluoride?
benzoic acid;sulfuryl difluoride has a molecular weight of 224.18 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;sulfuryl difluoride is sourced from PubChem (CID 22153377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).