ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate

C13H16FNO2 — CID 91348519

IUPACethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(N)Cc2c(C)ccc(F)c2C1
InChIInChI=1S/C13H16FNO2/c1-3-17-12(16)13(15)6-9-8(2)4-5-11(14)10(9)7-13/h4-5H,3,6-7,15H2,1-2H3
InChIKeyWHLMCDVWTJPFCY-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.49
Rot. Bonds2

About ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate

ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate (PubChem CID 91348519) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate
PubChem CID91348519
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Nameethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(N)Cc2c(C)ccc(F)c2C1
InChIInChI=1S/C13H16FNO2/c1-3-17-12(16)13(15)6-9-8(2)4-5-11(14)10(9)7-13/h4-5H,3,6-7,15H2,1-2H3
InChIKeyWHLMCDVWTJPFCY-UHFFFAOYSA-N
XLogP1.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate
CID 91306842
ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate
CID 97290484
2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid
CID 141221671
ethyl (2S)-2-amino-4-bromo-7-methoxy-1,3-dihydroindene-2-carboxylate
CID 100991299
ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate
CID 10634763
ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate
CID 24977741
ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate
CID 45112147
ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
CID 170361396
ethyl 13-aminopentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene-13-carboxylate
CID 102066296
(2-ethoxycarbonyl-4-fluoro-1,3-dihydroinden-2-yl)-methylidyneazanium
CID 59314306
2-ethoxy-2-methoxy-4,7-dimethyl-1,3-dihydroindene
CID 144633742
ethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate
CID 102113586

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate (CID 91348519) is ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(N)Cc2c(C)ccc(F)c2C1.
What is the InChIKey of ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate?
The InChIKey is WHLMCDVWTJPFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-3-17-12(16)13(15)6-9-8(2)4-5-11(14)10(9)7-13/h4-5H,3,6-7,15H2,1-2H3.
What are the key properties of ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate?
ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate has a molecular weight of 237.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 91348519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).