2,2-difluoro-3-hydroxy-3-phenylpropanoic acid

C9H8F2O3 — CID 11637029

IUPAC2,2-difluoro-3-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)C(F)(F)C(O)c1ccccc1
InChIInChI=1S/C9H8F2O3/c10-9(11,8(13)14)7(12)6-4-2-1-3-5-6/h1-5,7,12H,(H,13,14)
InChIKeyLUTWVXSKIQMZHU-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.44
Rot. Bonds3

About 2,2-difluoro-3-hydroxy-3-phenylpropanoic acid

2,2-difluoro-3-hydroxy-3-phenylpropanoic acid (PubChem CID 11637029) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-3-phenylpropanoic acid
PubChem CID11637029
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name2,2-difluoro-3-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)C(F)(F)C(O)c1ccccc1
InChIInChI=1S/C9H8F2O3/c10-9(11,8(13)14)7(12)6-4-2-1-3-5-6/h1-5,7,12H,(H,13,14)
InChIKeyLUTWVXSKIQMZHU-UHFFFAOYSA-N
XLogP1.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-3-phenylpropanoic acid?
The IUPAC name of 2,2-difluoro-3-hydroxy-3-phenylpropanoic acid (CID 11637029) is 2,2-difluoro-3-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for 2,2-difluoro-3-hydroxy-3-phenylpropanoic acid is O=C(O)C(F)(F)C(O)c1ccccc1.
What is the InChIKey of 2,2-difluoro-3-hydroxy-3-phenylpropanoic acid?
The InChIKey is LUTWVXSKIQMZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c10-9(11,8(13)14)7(12)6-4-2-1-3-5-6/h1-5,7,12H,(H,13,14).
What are the key properties of 2,2-difluoro-3-hydroxy-3-phenylpropanoic acid?
2,2-difluoro-3-hydroxy-3-phenylpropanoic acid has a molecular weight of 202.16 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 11637029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).