ethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate

C15H20FNO2 — CID 83066332

IUPACethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate
SMILESCCOC(=O)C1(NC(C)C)CCc2c(F)cccc21
InChIInChI=1S/C15H20FNO2/c1-4-19-14(18)15(17-10(2)3)9-8-11-12(15)6-5-7-13(11)16/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyADURVKRJFFFOIZ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.53
Rot. Bonds4

About ethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate

ethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate (PubChem CID 83066332) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate
PubChem CID83066332
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate
SMILESCCOC(=O)C1(NC(C)C)CCc2c(F)cccc21
InChIInChI=1S/C15H20FNO2/c1-4-19-14(18)15(17-10(2)3)9-8-11-12(15)6-5-7-13(11)16/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyADURVKRJFFFOIZ-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate?
The IUPAC name of ethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate (CID 83066332) is ethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for ethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for ethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate is CCOC(=O)C1(NC(C)C)CCc2c(F)cccc21.
What is the InChIKey of ethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate?
The InChIKey is ADURVKRJFFFOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-4-19-14(18)15(17-10(2)3)9-8-11-12(15)6-5-7-13(11)16/h5-7,10,17H,4,8-9H2,1-3H3.
What are the key properties of ethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate?
ethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 83066332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).