3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid

C10H7F5O2 — CID 67079520

IUPAC3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C10H7F5O2/c11-8-5(2-4-7(16)17)1-3-6(9(8)12)10(13,14)15/h1,3H,2,4H2,(H,16,17)
InChIKeyHOSBDFQVCYVDGK-UHFFFAOYSA-N
MW254.15 g/mol
LogP3.00
Rot. Bonds3

About 3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid

3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 67079520) has the molecular formula C10H7F5O2 and a molecular weight of 254.15 g/mol. Its IUPAC name is 3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid
PubChem CID67079520
Molecular FormulaC10H7F5O2
Molecular Weight254.15 g/mol
Exact Mass254.04
IUPAC Name3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C10H7F5O2/c11-8-5(2-4-7(16)17)1-3-6(9(8)12)10(13,14)15/h1,3H,2,4H2,(H,16,17)
InChIKeyHOSBDFQVCYVDGK-UHFFFAOYSA-N
XLogP3.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(chloromethyl)-2,3-difluoro-4-(trifluoromethyl)benzene
CID 121234690
4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid
CID 117378294
3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid
CID 84697357
3-(3-bromo-2,4-difluorophenyl)propanoic acid
CID 84807517
3-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid
CID 115008772
3-[4-[[1-(4-ethylphenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-2,3-difluorophenyl]propanoic acid
CID 86281122
methyl 3-[2-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 175837074
1-(chloromethyl)-3-fluoro-2,4-bis(trifluoromethyl)benzene
CID 134617827
4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid
CID 117108466
3-(2-fluoro-3-nitrophenyl)propanoic acid
CID 107350213
3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid
CID 91883856
2,3-difluoro-1-(isocyanomethyl)-4-(trifluoromethyl)benzene
CID 169008633

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid (CID 67079520) is 3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid is O=C(O)CCc1ccc(C(F)(F)F)c(F)c1F.
What is the InChIKey of 3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is HOSBDFQVCYVDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O2/c11-8-5(2-4-7(16)17)1-3-6(9(8)12)10(13,14)15/h1,3H,2,4H2,(H,16,17).
What are the key properties of 3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid?
3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 254.15 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 67079520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).