2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid

C12H13FO3 — CID 105481654

IUPAC2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
SMILESO=C(O)CC1(O)CCc2cccc(F)c2C1
InChIInChI=1S/C12H13FO3/c13-10-3-1-2-8-4-5-12(16,6-9(8)10)7-11(14)15/h1-3,16H,4-7H2,(H,14,15)
InChIKeyUGAOVTUENCGCHC-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.52
Rot. Bonds2

About 2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid

2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid (PubChem CID 105481654) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
PubChem CID105481654
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
SMILESO=C(O)CC1(O)CCc2cccc(F)c2C1
InChIInChI=1S/C12H13FO3/c13-10-3-1-2-8-4-5-12(16,6-9(8)10)7-11(14)15/h1-3,16H,4-7H2,(H,14,15)
InChIKeyUGAOVTUENCGCHC-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid?
The IUPAC name of 2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid (CID 105481654) is 2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid is O=C(O)CC1(O)CCc2cccc(F)c2C1.
What is the InChIKey of 2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid?
The InChIKey is UGAOVTUENCGCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c13-10-3-1-2-8-4-5-12(16,6-9(8)10)7-11(14)15/h1-3,16H,4-7H2,(H,14,15).
What are the key properties of 2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid?
2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid has a molecular weight of 224.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetic acid is sourced from PubChem (CID 105481654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).