3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene

C9H7F3O2S — CID 10922506

IUPAC3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene
SMILESC=C(C(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H7F3O2S/c1-7(9(10,11)12)15(13,14)8-5-3-2-4-6-8/h2-6H,1H2
InChIKeyOXGKDICOEVPRHC-UHFFFAOYSA-N
MW236.21 g/mol
LogP2.54
Rot. Bonds2

About 3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene

3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene (PubChem CID 10922506) has the molecular formula C9H7F3O2S and a molecular weight of 236.21 g/mol. Its IUPAC name is 3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene.

Molecular Properties

Compound Name3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene
PubChem CID10922506
Molecular FormulaC9H7F3O2S
Molecular Weight236.21 g/mol
Exact Mass236.01
IUPAC Name3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene
SMILESC=C(C(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H7F3O2S/c1-7(9(10,11)12)15(13,14)8-5-3-2-4-6-8/h2-6H,1H2
InChIKeyOXGKDICOEVPRHC-UHFFFAOYSA-N
XLogP2.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11830311
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CID 132518084
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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene?
The IUPAC name of 3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene (CID 10922506) is 3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene.
What is the SMILES notation for 3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene?
The canonical SMILES for 3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene is C=C(C(F)(F)F)S(=O)(=O)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene?
The InChIKey is OXGKDICOEVPRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2S/c1-7(9(10,11)12)15(13,14)8-5-3-2-4-6-8/h2-6H,1H2.
What are the key properties of 3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene?
3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene has a molecular weight of 236.21 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene is sourced from PubChem (CID 10922506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).