methyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate

C13H16FNO2 — CID 83066492

IUPACmethyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate
SMILESCCNC1(C(=O)OC)CCc2c(F)cccc21
InChIInChI=1S/C13H16FNO2/c1-3-15-13(12(16)17-2)8-7-9-10(13)5-4-6-11(9)14/h4-6,15H,3,7-8H2,1-2H3
InChIKeyMUZAVLIRXZEZEM-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.75
Rot. Bonds3

About methyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate

methyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate (PubChem CID 83066492) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate
PubChem CID83066492
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate
SMILESCCNC1(C(=O)OC)CCc2c(F)cccc21
InChIInChI=1S/C13H16FNO2/c1-3-15-13(12(16)17-2)8-7-9-10(13)5-4-6-11(9)14/h4-6,15H,3,7-8H2,1-2H3
InChIKeyMUZAVLIRXZEZEM-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate (CID 83066492) is methyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate is CCNC1(C(=O)OC)CCc2c(F)cccc21.
What is the InChIKey of methyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate?
The InChIKey is MUZAVLIRXZEZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-3-15-13(12(16)17-2)8-7-9-10(13)5-4-6-11(9)14/h4-6,15H,3,7-8H2,1-2H3.
What are the key properties of methyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate?
methyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate has a molecular weight of 237.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-4-fluoro-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 83066492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).