ethyl 2-amino-1-fluoro-1,3-dihydroindene-2-carboxylate

C12H14FNO2 — CID 68590679

IUPACethyl 2-amino-1-fluoro-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(N)Cc2ccccc2C1F
InChIInChI=1S/C12H14FNO2/c1-2-16-11(15)12(14)7-8-5-3-4-6-9(8)10(12)13/h3-6,10H,2,7,14H2,1H3
InChIKeyVLPCMUSVFXNGMF-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.51
Rot. Bonds2

About ethyl 2-amino-1-fluoro-1,3-dihydroindene-2-carboxylate

ethyl 2-amino-1-fluoro-1,3-dihydroindene-2-carboxylate (PubChem CID 68590679) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is ethyl 2-amino-1-fluoro-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-fluoro-1,3-dihydroindene-2-carboxylate
PubChem CID68590679
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Nameethyl 2-amino-1-fluoro-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(N)Cc2ccccc2C1F
InChIInChI=1S/C12H14FNO2/c1-2-16-11(15)12(14)7-8-5-3-4-6-9(8)10(12)13/h3-6,10H,2,7,14H2,1H3
InChIKeyVLPCMUSVFXNGMF-UHFFFAOYSA-N
XLogP1.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-fluoro-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-amino-1-fluoro-1,3-dihydroindene-2-carboxylate (CID 68590679) is ethyl 2-amino-1-fluoro-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-fluoro-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-amino-1-fluoro-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(N)Cc2ccccc2C1F.
What is the InChIKey of ethyl 2-amino-1-fluoro-1,3-dihydroindene-2-carboxylate?
The InChIKey is VLPCMUSVFXNGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-2-16-11(15)12(14)7-8-5-3-4-6-9(8)10(12)13/h3-6,10H,2,7,14H2,1H3.
What are the key properties of ethyl 2-amino-1-fluoro-1,3-dihydroindene-2-carboxylate?
ethyl 2-amino-1-fluoro-1,3-dihydroindene-2-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-fluoro-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 68590679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).