(E)-3-phenylprop-2-ene-1-sulfonyl fluoride

C9H9FO2S — CID 87208395

IUPAC(E)-3-phenylprop-2-ene-1-sulfonyl fluoride
SMILESO=S(=O)(F)C/C=C/c1ccccc1
InChIInChI=1S/C9H9FO2S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
InChIKeyVPVKJFDNAZSZFL-QPJJXVBHSA-N
MW200.23 g/mol
LogP2.00
Rot. Bonds3

About (E)-3-phenylprop-2-ene-1-sulfonyl fluoride

(E)-3-phenylprop-2-ene-1-sulfonyl fluoride (PubChem CID 87208395) has the molecular formula C9H9FO2S and a molecular weight of 200.23 g/mol. Its IUPAC name is (E)-3-phenylprop-2-ene-1-sulfonyl fluoride.

Molecular Properties

Compound Name(E)-3-phenylprop-2-ene-1-sulfonyl fluoride
PubChem CID87208395
Molecular FormulaC9H9FO2S
Molecular Weight200.23 g/mol
Exact Mass200.03
IUPAC Name(E)-3-phenylprop-2-ene-1-sulfonyl fluoride
SMILESO=S(=O)(F)C/C=C/c1ccccc1
InChIInChI=1S/C9H9FO2S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
InChIKeyVPVKJFDNAZSZFL-QPJJXVBHSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-3-phenylprop-2-enyl]sulfonylethanol
CID 11492314
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane
CID 126693424
stilbene;sulfuric acid
CID 67612140
[(E)-4,4-bis(trifluoromethylsulfonyl)but-1-enyl]benzene
CID 102192017
trifluoro-[(E)-3-phenylprop-2-enyl]boranuide
CID 101487088
CID 140512150
CID 140512150
benzene;but-1-enylbenzene
CID 157481332
(E)-5-phenylpent-4-enal
CID 11105652
1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene
CID 74601306
diethyl-[(E)-3-phenylprop-2-enyl]azanium;hydrogen sulfate
CID 86298238
[(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene
CID 139248357

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenylprop-2-ene-1-sulfonyl fluoride?
The IUPAC name of (E)-3-phenylprop-2-ene-1-sulfonyl fluoride (CID 87208395) is (E)-3-phenylprop-2-ene-1-sulfonyl fluoride.
What is the SMILES notation for (E)-3-phenylprop-2-ene-1-sulfonyl fluoride?
The canonical SMILES for (E)-3-phenylprop-2-ene-1-sulfonyl fluoride is O=S(=O)(F)C/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenylprop-2-ene-1-sulfonyl fluoride?
The InChIKey is VPVKJFDNAZSZFL-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H9FO2S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+.
What are the key properties of (E)-3-phenylprop-2-ene-1-sulfonyl fluoride?
(E)-3-phenylprop-2-ene-1-sulfonyl fluoride has a molecular weight of 200.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenylprop-2-ene-1-sulfonyl fluoride is sourced from PubChem (CID 87208395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).