3,3-difluoro-3-(3-fluorophenyl)propanoic acid

C9H7F3O2 — CID 84672023

IUPAC3,3-difluoro-3-(3-fluorophenyl)propanoic acid
SMILESO=C(O)CC(F)(F)c1cccc(F)c1
InChIInChI=1S/C9H7F3O2/c10-7-3-1-2-6(4-7)9(11,12)5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKeyVCZKBHWXUDTULN-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.39
Rot. Bonds3

About 3,3-difluoro-3-(3-fluorophenyl)propanoic acid

3,3-difluoro-3-(3-fluorophenyl)propanoic acid (PubChem CID 84672023) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 3,3-difluoro-3-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3,3-difluoro-3-(3-fluorophenyl)propanoic acid
PubChem CID84672023
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name3,3-difluoro-3-(3-fluorophenyl)propanoic acid
SMILESO=C(O)CC(F)(F)c1cccc(F)c1
InChIInChI=1S/C9H7F3O2/c10-7-3-1-2-6(4-7)9(11,12)5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKeyVCZKBHWXUDTULN-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoro-3-(3-fluorophenyl)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4,4-difluoro-4-(3-fluorophenyl)butan-2-one
CID 105454124
3-(3,5-difluorophenyl)-3,3-difluoropropanoic acid
CID 162738237
3,3-difluoro-3-(3-methylphenyl)propanoic acid;ethane
CID 170751473
2-(3-fluorophenyl)-2-phenylbutanedioic acid
CID 152760459
3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid
CID 105465813
2,3-difluoro-2-(3-fluorophenyl)propanoic acid
CID 175420494
3-(3-fluorophenyl)-3-(propylamino)pentanoic acid
CID 114873105
(2S)-2-amino-3,3,3-trifluoro-2-(3-fluorophenyl)propanoic acid
CID 95298191
5-(3-fluorophenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 146004499
3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid
CID 114873020
3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid
CID 84670441
1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene
CID 70952663

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(3-fluorophenyl)propanoic acid?
The IUPAC name of 3,3-difluoro-3-(3-fluorophenyl)propanoic acid (CID 84672023) is 3,3-difluoro-3-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for 3,3-difluoro-3-(3-fluorophenyl)propanoic acid?
The canonical SMILES for 3,3-difluoro-3-(3-fluorophenyl)propanoic acid is O=C(O)CC(F)(F)c1cccc(F)c1.
What is the InChIKey of 3,3-difluoro-3-(3-fluorophenyl)propanoic acid?
The InChIKey is VCZKBHWXUDTULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c10-7-3-1-2-6(4-7)9(11,12)5-8(13)14/h1-4H,5H2,(H,13,14).
What are the key properties of 3,3-difluoro-3-(3-fluorophenyl)propanoic acid?
3,3-difluoro-3-(3-fluorophenyl)propanoic acid has a molecular weight of 204.15 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 84672023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).