2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate

C18H16FNO2S — CID 7960306

IUPAC2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCCSc1ccccc1F
InChIInChI=1S/C18H16FNO2S/c19-15-6-2-4-8-17(15)23-10-9-22-18(21)11-13-12-20-16-7-3-1-5-14(13)16/h1-8,12,20H,9-11H2
InChIKeyZUNAZCUTTHWDDV-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.18
Rot. Bonds6

About 2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate

2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate (PubChem CID 7960306) has the molecular formula C18H16FNO2S and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate
PubChem CID7960306
Molecular FormulaC18H16FNO2S
Molecular Weight329.40 g/mol
Exact Mass329.09
IUPAC Name2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCCSc1ccccc1F
InChIInChI=1S/C18H16FNO2S/c19-15-6-2-4-8-17(15)23-10-9-22-18(21)11-13-12-20-16-7-3-1-5-14(13)16/h1-8,12,20H,9-11H2
InChIKeyZUNAZCUTTHWDDV-UHFFFAOYSA-N
XLogP4.18
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-fluorophenyl)methyl 2-(1H-indol-3-yl)acetate
CID 7665649
prop-2-enyl 2-(1H-indol-3-yl)acetate
CID 14701449
2,3,4-tris[[2-(1H-indol-3-yl)acetyl]oxy]butyl 2-(1H-indol-3-yl)acetate
CID 146458063
[(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate
CID 7663759
chloro 2-(1H-indol-3-yl)acetate
CID 174694401
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676157
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 9113975
[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 2-(1H-indol-3-yl)acetate
CID 18335849
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
1,3,4-tris[[2-(1H-indol-3-yl)acetyl]oxy]butan-2-yloxidanium
CID 142492737
[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960168
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate?
The IUPAC name of 2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate (CID 7960306) is 2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate?
The canonical SMILES for 2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate is O=C(Cc1c[nH]c2ccccc12)OCCSc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate?
The InChIKey is ZUNAZCUTTHWDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2S/c19-15-6-2-4-8-17(15)23-10-9-22-18(21)11-13-12-20-16-7-3-1-5-14(13)16/h1-8,12,20H,9-11H2.
What are the key properties of 2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate?
2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate has a molecular weight of 329.40 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7960306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).