ethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate

C16H15FO2S — CID 14529841

IUPACethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate
SMILESCCOC(=O)C(F)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15FO2S/c1-2-19-15(18)16(17,13-9-5-3-6-10-13)20-14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyANEVLDBXMGLRCB-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.16
Rot. Bonds5

About ethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate

ethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate (PubChem CID 14529841) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate
PubChem CID14529841
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Nameethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate
SMILESCCOC(=O)C(F)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15FO2S/c1-2-19-15(18)16(17,13-9-5-3-6-10-13)20-14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyANEVLDBXMGLRCB-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Mls003107273
CID 320212
Acetic acid, (o-(phenylthio)phenyl)-
CID 15211
Benzeneacetic acid, alpha-methyl-2-(phenylthio)-
CID 3041924
2-Phenyl-2-(phenylsulfanyl)acetic acid
CID 239605
3-(4-methylsulfinylphenyl)-4-phenyl-2H-furan-5-one
CID 9948196
4-[4-(methylsulfinyl)phenyl]-3-phenylfuran-2-(5H)-one
CID 44411662
3-[4-[(S)-methylsulfinyl]phenyl]-4-phenyl-2H-furan-5-one
CID 67288784
2(5H)-Furanone, 4-[4-(methylthio)phenyl]-3-phenyl-
CID 11044235
{5-Fluoro-2-[(4-isopropylphenyl)sulfanyl]phenyl}acetic acid
CID 826460
Ethyl (4-(methylthio)phenyl)acetate
CID 10512649
3-(4-(Methylthio)phenyl)-4-phenylfuran-2,5-dione
CID 16036828
4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2H-furan-5-one
CID 118721980

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate?
The IUPAC name of ethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate (CID 14529841) is ethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate.
What is the SMILES notation for ethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate?
The canonical SMILES for ethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate is CCOC(=O)C(F)(Sc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate?
The InChIKey is ANEVLDBXMGLRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2S/c1-2-19-15(18)16(17,13-9-5-3-6-10-13)20-14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate?
ethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate has a molecular weight of 290.36 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate is sourced from PubChem (CID 14529841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).