[(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate

C17H15FO2S — CID 11335653

IUPAC[(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate
SMILESO=C(OC/C=C/c1ccccc1)C(F)Sc1ccccc1
InChIInChI=1S/C17H15FO2S/c18-16(21-15-11-5-2-6-12-15)17(19)20-13-7-10-14-8-3-1-4-9-14/h1-12,16H,13H2/b10-7+
InChIKeyOSRVHIMNPNJJQJ-JXMROGBWSA-N
MW302.37 g/mol
LogP4.33
Rot. Bonds6

About [(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate

[(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate (PubChem CID 11335653) has the molecular formula C17H15FO2S and a molecular weight of 302.37 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate
PubChem CID11335653
Molecular FormulaC17H15FO2S
Molecular Weight302.37 g/mol
Exact Mass302.08
IUPAC Name[(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate
SMILESO=C(OC/C=C/c1ccccc1)C(F)Sc1ccccc1
InChIInChI=1S/C17H15FO2S/c18-16(21-15-11-5-2-6-12-15)17(19)20-13-7-10-14-8-3-1-4-9-14/h1-12,16H,13H2/b10-7+
InChIKeyOSRVHIMNPNJJQJ-JXMROGBWSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Phenylthio)acetic acid, phenylmethyl ester
CID 533037
14738-27-3
CID 271492
(4-Trifluoromethyl-phenylsulfanyl)-acetic acid ethyl ester
CID 58198439
(Phenylthio)acetic acid, 2-phenylethyl ester
CID 533054
methyl (E)-3-fluoro-4-[(R)-(4-methylphenyl)sulfinyl]but-2-enoate
CID 71812511
[(E)-2-(4-fluorophenyl)ethenyl]-(3-methoxy-3-oxopropyl)-(4-methylphenyl)sulfanium
CID 176422784
methyl (Z)-3-phenyl-2-phenylsulfanylprop-2-enoate
CID 12256077
methyl (Z)-3-phenyl-3-phenylsulfanylprop-2-enoate
CID 13109455
ethyl (E)-2-(benzenesulfinyl)-3-phenylprop-2-enoate
CID 58159223
(1-Phenyl-2-phenylsulfanylethyl) 2,2,2-trifluoroacetate
CID 10711217
methyl (Z)-3-(4-fluorophenyl)-3-phenylsulfanylprop-2-enoate
CID 11312263
2-[3-(trifluoromethyl)phenyl]sulfonylethyl (E)-3-phenylprop-2-enoate
CID 21583020

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate (CID 11335653) is [(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate is O=C(OC/C=C/c1ccccc1)C(F)Sc1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate?
The InChIKey is OSRVHIMNPNJJQJ-JXMROGBWSA-N. The full InChI is InChI=1S/C17H15FO2S/c18-16(21-15-11-5-2-6-12-15)17(19)20-13-7-10-14-8-3-1-4-9-14/h1-12,16H,13H2/b10-7+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate?
[(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate has a molecular weight of 302.37 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] 2-fluoro-2-phenylsulfanylacetate is sourced from PubChem (CID 11335653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).