[(E)-3-fluorosulfonylprop-2-enyl] benzoate

C10H9FO4S — CID 164670512

IUPAC[(E)-3-fluorosulfonylprop-2-enyl] benzoate
SMILESO=C(OC/C=C/S(=O)(=O)F)c1ccccc1
InChIInChI=1S/C10H9FO4S/c11-16(13,14)8-4-7-15-10(12)9-5-2-1-3-6-9/h1-6,8H,7H2/b8-4+
InChIKeyCVBXNPYXBAXFTI-XBXARRHUSA-N
MW244.24 g/mol
LogP1.66
Rot. Bonds4

About [(E)-3-fluorosulfonylprop-2-enyl] benzoate

[(E)-3-fluorosulfonylprop-2-enyl] benzoate (PubChem CID 164670512) has the molecular formula C10H9FO4S and a molecular weight of 244.24 g/mol. Its IUPAC name is [(E)-3-fluorosulfonylprop-2-enyl] benzoate.

Molecular Properties

Compound Name[(E)-3-fluorosulfonylprop-2-enyl] benzoate
PubChem CID164670512
Molecular FormulaC10H9FO4S
Molecular Weight244.24 g/mol
Exact Mass244.02
IUPAC Name[(E)-3-fluorosulfonylprop-2-enyl] benzoate
SMILESO=C(OC/C=C/S(=O)(=O)F)c1ccccc1
InChIInChI=1S/C10H9FO4S/c11-16(13,14)8-4-7-15-10(12)9-5-2-1-3-6-9/h1-6,8H,7H2/b8-4+
InChIKeyCVBXNPYXBAXFTI-XBXARRHUSA-N
XLogP1.66
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-fluorosulfonylprop-2-enyl] benzoate?
The IUPAC name of [(E)-3-fluorosulfonylprop-2-enyl] benzoate (CID 164670512) is [(E)-3-fluorosulfonylprop-2-enyl] benzoate.
What is the SMILES notation for [(E)-3-fluorosulfonylprop-2-enyl] benzoate?
The canonical SMILES for [(E)-3-fluorosulfonylprop-2-enyl] benzoate is O=C(OC/C=C/S(=O)(=O)F)c1ccccc1.
What is the InChIKey of [(E)-3-fluorosulfonylprop-2-enyl] benzoate?
The InChIKey is CVBXNPYXBAXFTI-XBXARRHUSA-N. The full InChI is InChI=1S/C10H9FO4S/c11-16(13,14)8-4-7-15-10(12)9-5-2-1-3-6-9/h1-6,8H,7H2/b8-4+.
What are the key properties of [(E)-3-fluorosulfonylprop-2-enyl] benzoate?
[(E)-3-fluorosulfonylprop-2-enyl] benzoate has a molecular weight of 244.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-fluorosulfonylprop-2-enyl] benzoate is sourced from PubChem (CID 164670512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).