2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid

C10H9F3O2 — CID 46737519

IUPAC2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid
SMILESCc1ccc(C(F)(F)F)cc1CC(=O)O
InChIInChI=1S/C10H9F3O2/c1-6-2-3-8(10(11,12)13)4-7(6)5-9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyJUHQANJHRWBIKL-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.64
Rot. Bonds2

About 2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid

2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid (PubChem CID 46737519) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid
PubChem CID46737519
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid
SMILESCc1ccc(C(F)(F)F)cc1CC(=O)O
InChIInChI=1S/C10H9F3O2/c1-6-2-3-8(10(11,12)13)4-7(6)5-9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyJUHQANJHRWBIKL-UHFFFAOYSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid (CID 46737519) is 2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid is Cc1ccc(C(F)(F)F)cc1CC(=O)O.
What is the InChIKey of 2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is JUHQANJHRWBIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-6-2-3-8(10(11,12)13)4-7(6)5-9(14)15/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid?
2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 218.17 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 46737519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).