3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid

C11H10F4O2 — CID 117378292

IUPAC3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid
SMILESCC(Cc1cc(C(F)F)cc(F)c1F)C(=O)O
InChIInChI=1S/C11H10F4O2/c1-5(11(16)17)2-6-3-7(10(14)15)4-8(12)9(6)13/h3-5,10H,2H2,1H3,(H,16,17)
InChIKeyLORZHLOVHJRRDJ-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.17
Rot. Bonds4

About 3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid

3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid (PubChem CID 117378292) has the molecular formula C11H10F4O2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid
PubChem CID117378292
Molecular FormulaC11H10F4O2
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid
SMILESCC(Cc1cc(C(F)F)cc(F)c1F)C(=O)O
InChIInChI=1S/C11H10F4O2/c1-5(11(16)17)2-6-3-7(10(14)15)4-8(12)9(6)13/h3-5,10H,2H2,1H3,(H,16,17)
InChIKeyLORZHLOVHJRRDJ-UHFFFAOYSA-N
XLogP3.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-fluoro-2,4-dimethylphenyl)-2-methylpropanoic acid
CID 84781211
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457
3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid
CID 117302913
3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117307767
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]propan-2-one
CID 84681626
3-(5-bromo-2,3-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117475605
3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117357572
3-(3-bromo-2,4-difluorophenyl)-2-methylpropanoic acid
CID 84811503
3-(2,4-difluoro-3,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117404338
3-(3,4-difluoro-5-phenylphenyl)-2-methylpropanoic acid
CID 117442171
3-(3-chloro-2,5,6-trifluorophenyl)-2-methylpropanoic acid
CID 117384557

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid (CID 117378292) is 3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid is CC(Cc1cc(C(F)F)cc(F)c1F)C(=O)O.
What is the InChIKey of 3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid?
The InChIKey is LORZHLOVHJRRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O2/c1-5(11(16)17)2-6-3-7(10(14)15)4-8(12)9(6)13/h3-5,10H,2H2,1H3,(H,16,17).
What are the key properties of 3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid?
3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid has a molecular weight of 250.19 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid is sourced from PubChem (CID 117378292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).