tert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate

C14H18FNO2 — CID 125458865

IUPACtert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(F)c2c1[C@H](N)CC2
InChIInChI=1S/C14H18FNO2/c1-14(2,3)18-13(17)9-4-6-10(15)8-5-7-11(16)12(8)9/h4,6,11H,5,7,16H2,1-3H3/t11-/m1/s1
InChIKeyXWRYECGIRJVJSX-LLVKDONJSA-N
MW251.30 g/mol
LogP2.73
Rot. Bonds1

About tert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate

tert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate (PubChem CID 125458865) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is tert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
PubChem CID125458865
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Nametert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(F)c2c1[C@H](N)CC2
InChIInChI=1S/C14H18FNO2/c1-14(2,3)18-13(17)9-4-6-10(15)8-5-7-11(16)12(8)9/h4,6,11H,5,7,16H2,1-3H3/t11-/m1/s1
InChIKeyXWRYECGIRJVJSX-LLVKDONJSA-N
XLogP2.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate?
The IUPAC name of tert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate (CID 125458865) is tert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate is CC(C)(C)OC(=O)c1ccc(F)c2c1[C@H](N)CC2.
What is the InChIKey of tert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate?
The InChIKey is XWRYECGIRJVJSX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(2,3)18-13(17)9-4-6-10(15)8-5-7-11(16)12(8)9/h4,6,11H,5,7,16H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate?
tert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate has a molecular weight of 251.30 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate is sourced from PubChem (CID 125458865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).