2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid

C8H8F2O3 — CID 67423445

IUPAC2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)C1=CC=CC(F)(F)C1
InChIInChI=1S/C8H8F2O3/c9-8(10)3-1-2-5(4-8)6(11)7(12)13/h1-3,6,11H,4H2,(H,12,13)
InChIKeyLRHIJSWMYDQOBE-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.95
Rot. Bonds2

About 2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid

2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid (PubChem CID 67423445) has the molecular formula C8H8F2O3 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid
PubChem CID67423445
Molecular FormulaC8H8F2O3
Molecular Weight190.15 g/mol
Exact Mass190.04
IUPAC Name2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)C1=CC=CC(F)(F)C1
InChIInChI=1S/C8H8F2O3/c9-8(10)3-1-2-5(4-8)6(11)7(12)13/h1-3,6,11H,4H2,(H,12,13)
InChIKeyLRHIJSWMYDQOBE-UHFFFAOYSA-N
XLogP0.95
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid (CID 67423445) is 2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid is O=C(O)C(O)C1=CC=CC(F)(F)C1.
What is the InChIKey of 2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid?
The InChIKey is LRHIJSWMYDQOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O3/c9-8(10)3-1-2-5(4-8)6(11)7(12)13/h1-3,6,11H,4H2,(H,12,13).
What are the key properties of 2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid?
2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid has a molecular weight of 190.15 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 67423445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).