2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid

C9H6F4O2 — CID 105478777

IUPAC2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid
SMILESO=C(O)C(F)(F)C(F)c1ccccc1F
InChIInChI=1S/C9H6F4O2/c10-6-4-2-1-3-5(6)7(11)9(12,13)8(14)15/h1-4,7H,(H,14,15)
InChIKeyZXYNRSPTXUJIEA-UHFFFAOYSA-N
MW222.14 g/mol
LogP2.56
Rot. Bonds3

About 2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid

2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid (PubChem CID 105478777) has the molecular formula C9H6F4O2 and a molecular weight of 222.14 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid
PubChem CID105478777
Molecular FormulaC9H6F4O2
Molecular Weight222.14 g/mol
Exact Mass222.03
IUPAC Name2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid
SMILESO=C(O)C(F)(F)C(F)c1ccccc1F
InChIInChI=1S/C9H6F4O2/c10-6-4-2-1-3-5(6)7(11)9(12,13)8(14)15/h1-4,7H,(H,14,15)
InChIKeyZXYNRSPTXUJIEA-UHFFFAOYSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid
CID 63667269
2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425
2,3-diamino-3-(2-fluorophenyl)propanoic acid
CID 116942285
1-fluoro-1-(2-fluorophenyl)-2-methylpropan-2-amine
CID 83853539
2-fluoro-2-(2-fluorophenyl)acetamide
CID 115013813
2-(2-fluorophenyl)butanedioic acid
CID 50990542
3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 165499575
4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228
3,3,3-trifluoro-2-(2-fluorophenyl)propanal
CID 84778914
2-[1-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 114998260
2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid
CID 79303258
1,1,1-trifluoro-3-(2-fluorophenyl)pentane-2,4-dione
CID 175038617

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of 2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid (CID 105478777) is 2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid is O=C(O)C(F)(F)C(F)c1ccccc1F.
What is the InChIKey of 2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid?
The InChIKey is ZXYNRSPTXUJIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O2/c10-6-4-2-1-3-5(6)7(11)9(12,13)8(14)15/h1-4,7H,(H,14,15).
What are the key properties of 2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid?
2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid has a molecular weight of 222.14 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 105478777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).