2,2-difluoro-2-phenylacetic acid

C8H6F2O2 — CID 726153

IUPAC2,2-difluoro-2-phenylacetic acid
SMILESO=C(O)C(F)(F)c1ccccc1
InChIInChI=1S/C8H6F2O2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h1-5H,(H,11,12)
InChIKeyPFKSLFZFBCIJOI-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.86
Rot. Bonds2

About 2,2-difluoro-2-phenylacetic acid

2,2-difluoro-2-phenylacetic acid (PubChem CID 726153) has the molecular formula C8H6F2O2 and a molecular weight of 172.13 g/mol. Its IUPAC name is 2,2-difluoro-2-phenylacetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-phenylacetic acid
PubChem CID726153
Molecular FormulaC8H6F2O2
Molecular Weight172.13 g/mol
Exact Mass172.03
IUPAC Name2,2-difluoro-2-phenylacetic acid
SMILESO=C(O)C(F)(F)c1ccccc1
InChIInChI=1S/C8H6F2O2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h1-5H,(H,11,12)
InChIKeyPFKSLFZFBCIJOI-UHFFFAOYSA-N
XLogP1.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-phenylacetic acid?
The IUPAC name of 2,2-difluoro-2-phenylacetic acid (CID 726153) is 2,2-difluoro-2-phenylacetic acid.
What is the SMILES notation for 2,2-difluoro-2-phenylacetic acid?
The canonical SMILES for 2,2-difluoro-2-phenylacetic acid is O=C(O)C(F)(F)c1ccccc1.
What is the InChIKey of 2,2-difluoro-2-phenylacetic acid?
The InChIKey is PFKSLFZFBCIJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h1-5H,(H,11,12).
What are the key properties of 2,2-difluoro-2-phenylacetic acid?
2,2-difluoro-2-phenylacetic acid has a molecular weight of 172.13 g/mol, XLogP of 1.86, 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-phenylacetic acid is sourced from PubChem (CID 726153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).