[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene

C11H11F3O3S — CID 10660370

IUPAC[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene
SMILESCCO/C(=C/S(=O)(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O3S/c1-2-17-10(11(12,13)14)8-18(15,16)9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+
InChIKeyYRBWUSXOMSHBSF-CSKARUKUSA-N
MW280.27 g/mol
LogP2.90
Rot. Bonds4

About [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene

[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene (PubChem CID 10660370) has the molecular formula C11H11F3O3S and a molecular weight of 280.27 g/mol. Its IUPAC name is [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene
PubChem CID10660370
Molecular FormulaC11H11F3O3S
Molecular Weight280.27 g/mol
Exact Mass280.04
IUPAC Name[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene
SMILESCCO/C(=C/S(=O)(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O3S/c1-2-17-10(11(12,13)14)8-18(15,16)9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+
InChIKeyYRBWUSXOMSHBSF-CSKARUKUSA-N
XLogP2.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Methoxymethyl Phenyl Sulfone
CID 366072
3-Fluoro-3-(((3-fluorophenyl)sulfinyl)methyl)oxetane
CID 129038015
2-(2-(Phenylsulfonyl)ethyl)oxirane
CID 11356304
3-(Benzenesulfonyl)-1,1,1-trifluoropropan-2-one
CID 10848389
2-[(Phenylsulfonyl)methyl]oxirane
CID 11356071
[(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene
CID 13499149
2-Ethoxyethylsulfonylbenzene
CID 44377531
Dimethyl(phenyl)sulfonium nonafluorobutane-1-sulfonate
CID 22625545
1,1-Difluoropentylphenyl sulfone
CID 12158449
(2,2,2-Trifluoroethyl)sulfonylbenzene
CID 12578046
1-(Benzenesulfonyl)-1-fluoropropan-2-one
CID 15685354
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286

Frequently Asked Questions

What is the IUPAC name of [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene?
The IUPAC name of [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene (CID 10660370) is [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene.
What is the SMILES notation for [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene?
The canonical SMILES for [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene is CCO/C(=C/S(=O)(=O)c1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene?
The InChIKey is YRBWUSXOMSHBSF-CSKARUKUSA-N. The full InChI is InChI=1S/C11H11F3O3S/c1-2-17-10(11(12,13)14)8-18(15,16)9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+.
What are the key properties of [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene?
[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene has a molecular weight of 280.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene is sourced from PubChem (CID 10660370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).