[2-(2-fluorophenyl)sulfanylphenyl] acetate

C14H11FO2S — CID 20513500

IUPAC[2-(2-fluorophenyl)sulfanylphenyl] acetate
SMILESCC(=O)Oc1ccccc1Sc1ccccc1F
InChIInChI=1S/C14H11FO2S/c1-10(16)17-12-7-3-5-9-14(12)18-13-8-4-2-6-11(13)15/h2-9H,1H3
InChIKeyNYDVPCRQLGZKOJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.90
Rot. Bonds3

About [2-(2-fluorophenyl)sulfanylphenyl] acetate

[2-(2-fluorophenyl)sulfanylphenyl] acetate (PubChem CID 20513500) has the molecular formula C14H11FO2S and a molecular weight of 262.31 g/mol. Its IUPAC name is [2-(2-fluorophenyl)sulfanylphenyl] acetate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)sulfanylphenyl] acetate
PubChem CID20513500
Molecular FormulaC14H11FO2S
Molecular Weight262.31 g/mol
Exact Mass262.05
IUPAC Name[2-(2-fluorophenyl)sulfanylphenyl] acetate
SMILESCC(=O)Oc1ccccc1Sc1ccccc1F
InChIInChI=1S/C14H11FO2S/c1-10(16)17-12-7-3-5-9-14(12)18-13-8-4-2-6-11(13)15/h2-9H,1H3
InChIKeyNYDVPCRQLGZKOJ-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(fluorodisulfanyl)phenyl] acetate
CID 143562973
acetyl acetate;(2-fluorophenyl) acetate
CID 158232558
(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone
CID 20513498
3-(2-fluorophenyl)sulfanyl-2-methylaniline
CID 63063967
(2-cyclohexylsulfanylphenyl) acetate
CID 10514848
triphenylen-1-yl acetate
CID 87276472
(2-fluorophenyl) 2-oxopropanoate
CID 54044054
(3-fluoro-2-phenylmethoxyphenyl) acetate
CID 10491566
(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 63813079
[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 135391526
(2-fluorophenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577967

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)sulfanylphenyl] acetate?
The IUPAC name of [2-(2-fluorophenyl)sulfanylphenyl] acetate (CID 20513500) is [2-(2-fluorophenyl)sulfanylphenyl] acetate.
What is the SMILES notation for [2-(2-fluorophenyl)sulfanylphenyl] acetate?
The canonical SMILES for [2-(2-fluorophenyl)sulfanylphenyl] acetate is CC(=O)Oc1ccccc1Sc1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)sulfanylphenyl] acetate?
The InChIKey is NYDVPCRQLGZKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2S/c1-10(16)17-12-7-3-5-9-14(12)18-13-8-4-2-6-11(13)15/h2-9H,1H3.
What are the key properties of [2-(2-fluorophenyl)sulfanylphenyl] acetate?
[2-(2-fluorophenyl)sulfanylphenyl] acetate has a molecular weight of 262.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)sulfanylphenyl] acetate is sourced from PubChem (CID 20513500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).