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

C13H13F2NO3 — CID 19434544

IUPAC2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetic acid
SMILESO=CN(CC(=O)O)C1CCc2cc(F)cc(F)c2C1
InChIInChI=1S/C13H13F2NO3/c14-9-3-8-1-2-10(5-11(8)12(15)4-9)16(7-17)6-13(18)19/h3-4,7,10H,1-2,5-6H2,(H,18,19)
InChIKeyUYVILPAREDRQAQ-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.37
Rot. Bonds4

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

2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetic acid (PubChem CID 19434544) has the molecular formula C13H13F2NO3 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetic acid.

Molecular Properties

Compound Name2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetic acid
PubChem CID19434544
Molecular FormulaC13H13F2NO3
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetic acid
SMILESO=CN(CC(=O)O)C1CCc2cc(F)cc(F)c2C1
InChIInChI=1S/C13H13F2NO3/c14-9-3-8-1-2-10(5-11(8)12(15)4-9)16(7-17)6-13(18)19/h3-4,7,10H,1-2,5-6H2,(H,18,19)
InChIKeyUYVILPAREDRQAQ-UHFFFAOYSA-N
XLogP1.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetic acid?
The IUPAC name of 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetic acid (CID 19434544) is 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetic acid.
What is the SMILES notation for 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetic acid?
The canonical SMILES for 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetic acid is O=CN(CC(=O)O)C1CCc2cc(F)cc(F)c2C1.
What is the InChIKey of 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetic acid?
The InChIKey is UYVILPAREDRQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3/c14-9-3-8-1-2-10(5-11(8)12(15)4-9)16(7-17)6-13(18)19/h3-4,7,10H,1-2,5-6H2,(H,18,19).
What are the key properties of 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetic acid?
2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetic acid has a molecular weight of 269.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetic acid is sourced from PubChem (CID 19434544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).