2-[2,4-bis(trifluoromethyl)phenyl]acetic acid

C10H6F6O2 — CID 2736172

IUPAC2-[2,4-bis(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H6F6O2/c11-9(12,13)6-2-1-5(3-8(17)18)7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)
InChIKeyBCHGLBXVODTIEE-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.35
Rot. Bonds2

About 2-[2,4-bis(trifluoromethyl)phenyl]acetic acid

2-[2,4-bis(trifluoromethyl)phenyl]acetic acid (PubChem CID 2736172) has the molecular formula C10H6F6O2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-[2,4-bis(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2,4-bis(trifluoromethyl)phenyl]acetic acid
PubChem CID2736172
Molecular FormulaC10H6F6O2
Molecular Weight272.14 g/mol
Exact Mass272.03
IUPAC Name2-[2,4-bis(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H6F6O2/c11-9(12,13)6-2-1-5(3-8(17)18)7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)
InChIKeyBCHGLBXVODTIEE-UHFFFAOYSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[2,4-bis(trifluoromethyl)phenyl]acetic 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

Ibuprofen, (+-)-
CID 3672
Felbinac
CID 3332
Flurbiprofen
CID 3394
Dexibuprofen
CID 39912
Esflurbiprofen
CID 72099
Tarenflurbil
CID 92337
Ibuprofen, (-)-
CID 114864
2-Naphthaleneacetic acid
CID 11393
Benzeneacetic acid, 4-(1,1-dimethylethyl)-
CID 118343
p-Tolylacetic acid
CID 248474
2-(4-Fluorophenyl)acetic acid
CID 9837
m-Tolylacetic acid
CID 12121

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[2,4-bis(trifluoromethyl)phenyl]acetic acid (CID 2736172) is 2-[2,4-bis(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2,4-bis(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2,4-bis(trifluoromethyl)phenyl]acetic acid is O=C(O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 2-[2,4-bis(trifluoromethyl)phenyl]acetic acid?
The InChIKey is BCHGLBXVODTIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O2/c11-9(12,13)6-2-1-5(3-8(17)18)7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18).
What are the key properties of 2-[2,4-bis(trifluoromethyl)phenyl]acetic acid?
2-[2,4-bis(trifluoromethyl)phenyl]acetic acid has a molecular weight of 272.14 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 2736172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).