methyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate

C11H11F2NO2 — CID 66955315

IUPACmethyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1(N)CCc2c(F)cc(F)cc21
InChIInChI=1S/C11H11F2NO2/c1-16-10(15)11(14)3-2-7-8(11)4-6(12)5-9(7)13/h4-5H,2-3,14H2,1H3
InChIKeyNYLNCNWBNNAGBM-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.24
Rot. Bonds1

About methyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate

methyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate (PubChem CID 66955315) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is methyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate
PubChem CID66955315
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Namemethyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1(N)CCc2c(F)cc(F)cc21
InChIInChI=1S/C11H11F2NO2/c1-16-10(15)11(14)3-2-7-8(11)4-6(12)5-9(7)13/h4-5H,2-3,14H2,1H3
InChIKeyNYLNCNWBNNAGBM-UHFFFAOYSA-N
XLogP1.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate?
The IUPAC name of methyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate (CID 66955315) is methyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for methyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for methyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate is COC(=O)C1(N)CCc2c(F)cc(F)cc21.
What is the InChIKey of methyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate?
The InChIKey is NYLNCNWBNNAGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-16-10(15)11(14)3-2-7-8(11)4-6(12)5-9(7)13/h4-5H,2-3,14H2,1H3.
What are the key properties of methyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate?
methyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate has a molecular weight of 227.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 66955315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).