ethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate

C10H11F2NO2S — CID 62531329

IUPACethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate
SMILESCCOC(=O)CSc1c(N)ccc(F)c1F
InChIInChI=1S/C10H11F2NO2S/c1-2-15-8(14)5-16-10-7(13)4-3-6(11)9(10)12/h3-4H,2,5,13H2,1H3
InChIKeyKMGFHOXIGQCXLC-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.20
Rot. Bonds4

About ethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate

ethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate (PubChem CID 62531329) has the molecular formula C10H11F2NO2S and a molecular weight of 247.27 g/mol. Its IUPAC name is ethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate
PubChem CID62531329
Molecular FormulaC10H11F2NO2S
Molecular Weight247.27 g/mol
Exact Mass247.05
IUPAC Nameethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate
SMILESCCOC(=O)CSc1c(N)ccc(F)c1F
InChIInChI=1S/C10H11F2NO2S/c1-2-15-8(14)5-16-10-7(13)4-3-6(11)9(10)12/h3-4H,2,5,13H2,1H3
InChIKeyKMGFHOXIGQCXLC-UHFFFAOYSA-N
XLogP2.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(6,7-difluoro-1,3-benzoxazol-2-yl)sulfanyl]acetate
CID 25219186
ethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate
CID 66078116
ethyl 4-(6-amino-2,3-difluorophenyl)but-3-enoate
CID 170796183
ethyl 2-(4-amino-2-fluoro-5-methoxyphenyl)sulfanylacetate
CID 107260171
ethyl 2-(2-chloro-3-fluoro-6-nitrophenyl)sulfanylacetate
CID 54064790
ethyl 3-amino-2,6-difluorobenzoate
CID 23137423
ethyl 4-(6-amino-2,3-difluoroanilino)butanoate
CID 64576159
ethyl 2-(4-amino-3-carbamoylphenyl)sulfanylacetate
CID 54979960
butyl 2-(4-amino-3-fluorophenyl)sulfanylacetate
CID 79141628
ethyl 2-(4-amino-3-propan-2-yloxyphenyl)sulfanylacetate
CID 83002497
ethyl 2-[2-amino-5-(methylcarbamoyl)phenyl]sulfanylacetate
CID 63357249
ethyl 2-(2,3-diamino-4-fluorophenyl)acetate
CID 171024930

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate?
The IUPAC name of ethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate (CID 62531329) is ethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate?
The canonical SMILES for ethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate is CCOC(=O)CSc1c(N)ccc(F)c1F.
What is the InChIKey of ethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate?
The InChIKey is KMGFHOXIGQCXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2S/c1-2-15-8(14)5-16-10-7(13)4-3-6(11)9(10)12/h3-4H,2,5,13H2,1H3.
What are the key properties of ethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate?
ethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate has a molecular weight of 247.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate is sourced from PubChem (CID 62531329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).