methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate

C11H10FNO2S — CID 115072235

IUPACmethyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate
SMILESCOC(=O)C(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C11H10FNO2S/c1-15-11(14)10(13)9-4-6-2-3-7(12)5-8(6)16-9/h2-5,10H,13H2,1H3
InChIKeyPOZOAMYIUCUNCY-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.21
Rot. Bonds2

About methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate

methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate (PubChem CID 115072235) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate
PubChem CID115072235
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Namemethyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate
SMILESCOC(=O)C(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C11H10FNO2S/c1-15-11(14)10(13)9-4-6-2-3-7(12)5-8(6)16-9/h2-5,10H,13H2,1H3
InChIKeyPOZOAMYIUCUNCY-UHFFFAOYSA-N
XLogP2.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine
CID 105005309
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
CID 115819038
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine
CID 105017408
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039458
methyl 2-amino-2-(7-methoxy-1-benzothiophen-2-yl)acetate
CID 115072405
1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
CID 115835449
methyl 2-amino-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetate
CID 115072389
methyl 2-amino-2-[4-(trifluoromethyl)-1-benzothiophen-2-yl]acetate
CID 115071886
(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81115335
2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117122437
methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate
CID 51888842

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate?
The IUPAC name of methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate (CID 115072235) is methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate is COC(=O)C(N)c1cc2ccc(F)cc2s1.
What is the InChIKey of methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate?
The InChIKey is POZOAMYIUCUNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-15-11(14)10(13)9-4-6-2-3-7(12)5-8(6)16-9/h2-5,10H,13H2,1H3.
What are the key properties of methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate?
methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate has a molecular weight of 239.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate is sourced from PubChem (CID 115072235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).