2,2-difluoro-2-naphthalen-2-ylacetic acid

C12H8F2O2 — CID 12585551

IUPAC2,2-difluoro-2-naphthalen-2-ylacetic acid
SMILESO=C(O)C(F)(F)c1ccc2ccccc2c1
InChIInChI=1S/C12H8F2O2/c13-12(14,11(15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,15,16)
InChIKeyADBYFIBVXQSEJM-UHFFFAOYSA-N
MW222.19 g/mol
LogP3.02
Rot. Bonds2

About 2,2-difluoro-2-naphthalen-2-ylacetic acid

2,2-difluoro-2-naphthalen-2-ylacetic acid (PubChem CID 12585551) has the molecular formula C12H8F2O2 and a molecular weight of 222.19 g/mol. Its IUPAC name is 2,2-difluoro-2-naphthalen-2-ylacetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-naphthalen-2-ylacetic acid
PubChem CID12585551
Molecular FormulaC12H8F2O2
Molecular Weight222.19 g/mol
Exact Mass222.05
IUPAC Name2,2-difluoro-2-naphthalen-2-ylacetic acid
SMILESO=C(O)C(F)(F)c1ccc2ccccc2c1
InChIInChI=1S/C12H8F2O2/c13-12(14,11(15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,15,16)
InChIKeyADBYFIBVXQSEJM-UHFFFAOYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-2-naphthalen-2-ylacetic 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 2,2-difluoro-2-naphthalen-2-ylacetic acid?
The IUPAC name of 2,2-difluoro-2-naphthalen-2-ylacetic acid (CID 12585551) is 2,2-difluoro-2-naphthalen-2-ylacetic acid.
What is the SMILES notation for 2,2-difluoro-2-naphthalen-2-ylacetic acid?
The canonical SMILES for 2,2-difluoro-2-naphthalen-2-ylacetic acid is O=C(O)C(F)(F)c1ccc2ccccc2c1.
What is the InChIKey of 2,2-difluoro-2-naphthalen-2-ylacetic acid?
The InChIKey is ADBYFIBVXQSEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O2/c13-12(14,11(15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,15,16).
What are the key properties of 2,2-difluoro-2-naphthalen-2-ylacetic acid?
2,2-difluoro-2-naphthalen-2-ylacetic acid has a molecular weight of 222.19 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-naphthalen-2-ylacetic acid is sourced from PubChem (CID 12585551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).