fluoro difluoro(phenyl)methanesulfonate

C7H5F3O3S — CID 87462913

IUPACfluoro difluoro(phenyl)methanesulfonate
SMILESO=S(=O)(OF)C(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3O3S/c8-7(9,14(11,12)13-10)6-4-2-1-3-5-6/h1-5H
InChIKeyAOTMTGSEKIWTRR-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.97
Rot. Bonds3

About fluoro difluoro(phenyl)methanesulfonate

fluoro difluoro(phenyl)methanesulfonate (PubChem CID 87462913) has the molecular formula C7H5F3O3S and a molecular weight of 226.18 g/mol. Its IUPAC name is fluoro difluoro(phenyl)methanesulfonate.

Molecular Properties

Compound Namefluoro difluoro(phenyl)methanesulfonate
PubChem CID87462913
Molecular FormulaC7H5F3O3S
Molecular Weight226.18 g/mol
Exact Mass225.99
IUPAC Namefluoro difluoro(phenyl)methanesulfonate
SMILESO=S(=O)(OF)C(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3O3S/c8-7(9,14(11,12)13-10)6-4-2-1-3-5-6/h1-5H
InChIKeyAOTMTGSEKIWTRR-UHFFFAOYSA-N
XLogP1.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro difluoro(phenyl)methanesulfonate?
The IUPAC name of fluoro difluoro(phenyl)methanesulfonate (CID 87462913) is fluoro difluoro(phenyl)methanesulfonate.
What is the SMILES notation for fluoro difluoro(phenyl)methanesulfonate?
The canonical SMILES for fluoro difluoro(phenyl)methanesulfonate is O=S(=O)(OF)C(F)(F)c1ccccc1.
What is the InChIKey of fluoro difluoro(phenyl)methanesulfonate?
The InChIKey is AOTMTGSEKIWTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O3S/c8-7(9,14(11,12)13-10)6-4-2-1-3-5-6/h1-5H.
What are the key properties of fluoro difluoro(phenyl)methanesulfonate?
fluoro difluoro(phenyl)methanesulfonate has a molecular weight of 226.18 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro difluoro(phenyl)methanesulfonate is sourced from PubChem (CID 87462913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).