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

C12H12F2O2 — CID 84790872

IUPAC2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESO=C(O)CC1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C12H12F2O2/c13-9-4-7-2-1-3-8(5-11(15)16)12(7)10(14)6-9/h4,6,8H,1-3,5H2,(H,15,16)
InChIKeyULYWROFGGDZIJX-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.86
Rot. Bonds2

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

2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (PubChem CID 84790872) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
PubChem CID84790872
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESO=C(O)CC1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C12H12F2O2/c13-9-4-7-2-1-3-8(5-11(15)16)12(7)10(14)6-9/h4,6,8H,1-3,5H2,(H,15,16)
InChIKeyULYWROFGGDZIJX-UHFFFAOYSA-N
XLogP2.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The IUPAC name of 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (CID 84790872) is 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is O=C(O)CC1CCCc2cc(F)cc(F)c21.
What is the InChIKey of 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The InChIKey is ULYWROFGGDZIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c13-9-4-7-2-1-3-8(5-11(15)16)12(7)10(14)6-9/h4,6,8H,1-3,5H2,(H,15,16).
What are the key properties of 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid has a molecular weight of 226.22 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is sourced from PubChem (CID 84790872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).