2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid

C12H13FO3 — CID 117321607

IUPAC2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc2c(c1F)CCCC2
InChIInChI=1S/C12H13FO3/c13-10-8-4-2-1-3-7(8)5-6-9(10)11(14)12(15)16/h5-6,11,14H,1-4H2,(H,15,16)
InChIKeyPTABIDAPNSYMMO-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.82
Rot. Bonds2

About 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid

2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid (PubChem CID 117321607) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid
PubChem CID117321607
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc2c(c1F)CCCC2
InChIInChI=1S/C12H13FO3/c13-10-8-4-2-1-3-7(8)5-6-9(10)11(14)12(15)16/h5-6,11,14H,1-4H2,(H,15,16)
InChIKeyPTABIDAPNSYMMO-UHFFFAOYSA-N
XLogP1.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid (CID 117321607) is 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc2c(c1F)CCCC2.
What is the InChIKey of 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid?
The InChIKey is PTABIDAPNSYMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c13-10-8-4-2-1-3-7(8)5-6-9(10)11(14)12(15)16/h5-6,11,14H,1-4H2,(H,15,16).
What are the key properties of 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid?
2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid has a molecular weight of 224.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 117321607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).