phenyl 2-fluoro-2-phenylsulfanylacetate

C14H11FO2S — CID 15882411

IUPACphenyl 2-fluoro-2-phenylsulfanylacetate
SMILESO=C(Oc1ccccc1)C(F)Sc1ccccc1
InChIInChI=1S/C14H11FO2S/c15-13(18-12-9-5-2-6-10-12)14(16)17-11-7-3-1-4-8-11/h1-10,13H
InChIKeyUHDUMLQPMNXDMO-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.68
Rot. Bonds4

About phenyl 2-fluoro-2-phenylsulfanylacetate

phenyl 2-fluoro-2-phenylsulfanylacetate (PubChem CID 15882411) has the molecular formula C14H11FO2S and a molecular weight of 262.31 g/mol. Its IUPAC name is phenyl 2-fluoro-2-phenylsulfanylacetate.

Molecular Properties

Compound Namephenyl 2-fluoro-2-phenylsulfanylacetate
PubChem CID15882411
Molecular FormulaC14H11FO2S
Molecular Weight262.31 g/mol
Exact Mass262.05
IUPAC Namephenyl 2-fluoro-2-phenylsulfanylacetate
SMILESO=C(Oc1ccccc1)C(F)Sc1ccccc1
InChIInChI=1S/C14H11FO2S/c15-13(18-12-9-5-2-6-10-12)14(16)17-11-7-3-1-4-8-11/h1-10,13H
InChIKeyUHDUMLQPMNXDMO-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.68
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-fluoro-1-phenyl-2-phenylsulfanylethanone
CID 10037552
phenyl 2-bromo-2-chloroacetate
CID 174609883
phenyl 2-fluoro-3,3-dimethylbutanoate
CID 139826816
(2R,3S)-2,3-bis(phenoxycarbonyl)butanedioic acid
CID 1268149
phenyl 2,3-dichloropropanoate
CID 15055281
2-phenoxysulfonyl-2-phenylsulfanylacetic acid
CID 90746421
(2S)-2-hydroxy-2-phenylsulfanylacetic acid
CID 69088951
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
phenyl 2-hydroxy-3-methylbutanoate
CID 21199267
phenyl (2S)-2-methoxypropanoate
CID 12621314
phenyl hydrogen carbonate;sulfur dioxide
CID 67864453
phenyl 2-(hydroxyamino)propanoate
CID 88707618

Frequently Asked Questions

What is the IUPAC name of phenyl 2-fluoro-2-phenylsulfanylacetate?
The IUPAC name of phenyl 2-fluoro-2-phenylsulfanylacetate (CID 15882411) is phenyl 2-fluoro-2-phenylsulfanylacetate.
What is the SMILES notation for phenyl 2-fluoro-2-phenylsulfanylacetate?
The canonical SMILES for phenyl 2-fluoro-2-phenylsulfanylacetate is O=C(Oc1ccccc1)C(F)Sc1ccccc1.
What is the InChIKey of phenyl 2-fluoro-2-phenylsulfanylacetate?
The InChIKey is UHDUMLQPMNXDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2S/c15-13(18-12-9-5-2-6-10-12)14(16)17-11-7-3-1-4-8-11/h1-10,13H.
What are the key properties of phenyl 2-fluoro-2-phenylsulfanylacetate?
phenyl 2-fluoro-2-phenylsulfanylacetate has a molecular weight of 262.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-fluoro-2-phenylsulfanylacetate is sourced from PubChem (CID 15882411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).