(E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride

C9H8ClFO2S — CID 83715559

IUPAC(E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C/C=C/c1ccccc1F
InChIInChI=1S/C9H8ClFO2S/c10-14(12,13)7-3-5-8-4-1-2-6-9(8)11/h1-6H,7H2/b5-3+
InChIKeySZYJGWDNBIYNMC-HWKANZROSA-N
MW234.68 g/mol
LogP2.41
Rot. Bonds3

About (E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride

(E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride (PubChem CID 83715559) has the molecular formula C9H8ClFO2S and a molecular weight of 234.68 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride
PubChem CID83715559
Molecular FormulaC9H8ClFO2S
Molecular Weight234.68 g/mol
Exact Mass233.99
IUPAC Name(E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C/C=C/c1ccccc1F
InChIInChI=1S/C9H8ClFO2S/c10-14(12,13)7-3-5-8-4-1-2-6-9(8)11/h1-6H,7H2/b5-3+
InChIKeySZYJGWDNBIYNMC-HWKANZROSA-N
XLogP2.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride?
The IUPAC name of (E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride (CID 83715559) is (E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride.
What is the SMILES notation for (E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride?
The canonical SMILES for (E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride is O=S(=O)(Cl)C/C=C/c1ccccc1F.
What is the InChIKey of (E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride?
The InChIKey is SZYJGWDNBIYNMC-HWKANZROSA-N. The full InChI is InChI=1S/C9H8ClFO2S/c10-14(12,13)7-3-5-8-4-1-2-6-9(8)11/h1-6H,7H2/b5-3+.
What are the key properties of (E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride?
(E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride has a molecular weight of 234.68 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 (E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 83715559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).