[(E)-4,4,4-trifluorobut-2-en-2-yl]sulfonylbenzene

C10H9F3O2S — CID 67549587

IUPAC[(E)-4,4,4-trifluorobut-2-en-2-yl]sulfonylbenzene
SMILESC/C(=C\C(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H9F3O2S/c1-8(7-10(11,12)13)16(14,15)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
InChIKeyAFACFWPAUJDHAV-BQYQJAHWSA-N
MW250.24 g/mol
LogP2.93
Rot. Bonds2

About [(E)-4,4,4-trifluorobut-2-en-2-yl]sulfonylbenzene

[(E)-4,4,4-trifluorobut-2-en-2-yl]sulfonylbenzene (PubChem CID 67549587) has the molecular formula C10H9F3O2S and a molecular weight of 250.24 g/mol. Its IUPAC name is [(E)-4,4,4-trifluorobut-2-en-2-yl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-4,4,4-trifluorobut-2-en-2-yl]sulfonylbenzene
PubChem CID67549587
Molecular FormulaC10H9F3O2S
Molecular Weight250.24 g/mol
Exact Mass250.03
IUPAC Name[(E)-4,4,4-trifluorobut-2-en-2-yl]sulfonylbenzene
SMILESC/C(=C\C(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H9F3O2S/c1-8(7-10(11,12)13)16(14,15)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
InChIKeyAFACFWPAUJDHAV-BQYQJAHWSA-N
XLogP2.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-4,4,4-trifluorobut-2-en-2-yl]sulfonylbenzene?
The IUPAC name of [(E)-4,4,4-trifluorobut-2-en-2-yl]sulfonylbenzene (CID 67549587) is [(E)-4,4,4-trifluorobut-2-en-2-yl]sulfonylbenzene.
What is the SMILES notation for [(E)-4,4,4-trifluorobut-2-en-2-yl]sulfonylbenzene?
The canonical SMILES for [(E)-4,4,4-trifluorobut-2-en-2-yl]sulfonylbenzene is C/C(=C\C(F)(F)F)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-4,4,4-trifluorobut-2-en-2-yl]sulfonylbenzene?
The InChIKey is AFACFWPAUJDHAV-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H9F3O2S/c1-8(7-10(11,12)13)16(14,15)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+.
What are the key properties of [(E)-4,4,4-trifluorobut-2-en-2-yl]sulfonylbenzene?
[(E)-4,4,4-trifluorobut-2-en-2-yl]sulfonylbenzene has a molecular weight of 250.24 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4,4,4-trifluorobut-2-en-2-yl]sulfonylbenzene is sourced from PubChem (CID 67549587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).