3,3,3-trifluoropropylsulfonylbenzene

C9H9F3O2S — CID 66796132

IUPAC3,3,3-trifluoropropylsulfonylbenzene
SMILESO=S(=O)(CCC(F)(F)F)c1ccccc1
InChIInChI=1S/C9H9F3O2S/c10-9(11,12)6-7-15(13,14)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyWRYKWIRVEHMAID-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.41
Rot. Bonds3

About 3,3,3-trifluoropropylsulfonylbenzene

3,3,3-trifluoropropylsulfonylbenzene (PubChem CID 66796132) has the molecular formula C9H9F3O2S and a molecular weight of 238.23 g/mol. Its IUPAC name is 3,3,3-trifluoropropylsulfonylbenzene.

Molecular Properties

Compound Name3,3,3-trifluoropropylsulfonylbenzene
PubChem CID66796132
Molecular FormulaC9H9F3O2S
Molecular Weight238.23 g/mol
Exact Mass238.03
IUPAC Name3,3,3-trifluoropropylsulfonylbenzene
SMILESO=S(=O)(CCC(F)(F)F)c1ccccc1
InChIInChI=1S/C9H9F3O2S/c10-9(11,12)6-7-15(13,14)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyWRYKWIRVEHMAID-UHFFFAOYSA-N
XLogP2.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropylsulfonylbenzene?
The IUPAC name of 3,3,3-trifluoropropylsulfonylbenzene (CID 66796132) is 3,3,3-trifluoropropylsulfonylbenzene.
What is the SMILES notation for 3,3,3-trifluoropropylsulfonylbenzene?
The canonical SMILES for 3,3,3-trifluoropropylsulfonylbenzene is O=S(=O)(CCC(F)(F)F)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoropropylsulfonylbenzene?
The InChIKey is WRYKWIRVEHMAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2S/c10-9(11,12)6-7-15(13,14)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 3,3,3-trifluoropropylsulfonylbenzene?
3,3,3-trifluoropropylsulfonylbenzene has a molecular weight of 238.23 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropylsulfonylbenzene is sourced from PubChem (CID 66796132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).