ethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate

C14H17F2NO2 — CID 19699373

IUPACethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate
SMILESCCOC(=O)CNC1CCc2c(F)cc(F)cc2C1
InChIInChI=1S/C14H17F2NO2/c1-2-19-14(18)8-17-11-3-4-12-9(6-11)5-10(15)7-13(12)16/h5,7,11,17H,2-4,6,8H2,1H3
InChIKeyFTBNDEKBPXZGEA-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.97
Rot. Bonds4

About ethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate

ethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate (PubChem CID 19699373) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is ethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate
PubChem CID19699373
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Nameethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate
SMILESCCOC(=O)CNC1CCc2c(F)cc(F)cc2C1
InChIInChI=1S/C14H17F2NO2/c1-2-19-14(18)8-17-11-3-4-12-9(6-11)5-10(15)7-13(12)16/h5,7,11,17H,2-4,6,8H2,1H3
InChIKeyFTBNDEKBPXZGEA-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate (CID 19699373) is ethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate is CCOC(=O)CNC1CCc2c(F)cc(F)cc2C1.
What is the InChIKey of ethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate?
The InChIKey is FTBNDEKBPXZGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-2-19-14(18)8-17-11-3-4-12-9(6-11)5-10(15)7-13(12)16/h5,7,11,17H,2-4,6,8H2,1H3.
What are the key properties of ethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate?
ethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate has a molecular weight of 269.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetate is sourced from PubChem (CID 19699373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).