ethyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate

C15H17F2NO3 — CID 19699274

IUPACethyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate
SMILESCCOC(=O)CN(C=O)C1CCc2cc(F)cc(F)c2C1
InChIInChI=1S/C15H17F2NO3/c1-2-21-15(20)8-18(9-19)12-4-3-10-5-11(16)6-14(17)13(10)7-12/h5-6,9,12H,2-4,7-8H2,1H3
InChIKeyJDWCTMBMAWAZDY-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.84
Rot. Bonds5

About ethyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate

ethyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate (PubChem CID 19699274) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is ethyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate
PubChem CID19699274
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Nameethyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate
SMILESCCOC(=O)CN(C=O)C1CCc2cc(F)cc(F)c2C1
InChIInChI=1S/C15H17F2NO3/c1-2-21-15(20)8-18(9-19)12-4-3-10-5-11(16)6-14(17)13(10)7-12/h5-6,9,12H,2-4,7-8H2,1H3
InChIKeyJDWCTMBMAWAZDY-UHFFFAOYSA-N
XLogP1.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate?
The IUPAC name of ethyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate (CID 19699274) is ethyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate.
What is the SMILES notation for ethyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate?
The canonical SMILES for ethyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate is CCOC(=O)CN(C=O)C1CCc2cc(F)cc(F)c2C1.
What is the InChIKey of ethyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate?
The InChIKey is JDWCTMBMAWAZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-2-21-15(20)8-18(9-19)12-4-3-10-5-11(16)6-14(17)13(10)7-12/h5-6,9,12H,2-4,7-8H2,1H3.
What are the key properties of ethyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate?
ethyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate has a molecular weight of 297.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate is sourced from PubChem (CID 19699274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).