2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid

C12H13F3O2 — CID 69474334

IUPAC2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid
SMILESCC(C)c1ccc(CC(=O)O)cc1C(F)(F)F
InChIInChI=1S/C12H13F3O2/c1-7(2)9-4-3-8(6-11(16)17)5-10(9)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyWUSHKGMVRMNYLS-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.46
Rot. Bonds3

About 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid

2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid (PubChem CID 69474334) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid
PubChem CID69474334
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid
SMILESCC(C)c1ccc(CC(=O)O)cc1C(F)(F)F
InChIInChI=1S/C12H13F3O2/c1-7(2)9-4-3-8(6-11(16)17)5-10(9)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyWUSHKGMVRMNYLS-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[4-propan-2-yl-3-(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

2-[3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 88925374
4-(methylsulfonylmethyl)-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 162184314
2-[3-chloro-4-(trifluoromethyl)phenyl]acetic acid
CID 57367989
2-(3-octadecyl-4-propan-2-ylphenyl)acetic acid
CID 141255140
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetic acid
CID 159866022
2-[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 177379479
2-[3-nitro-4-(trifluoromethyl)phenyl]acetic acid
CID 70701202
1-bromo-1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-2-one
CID 134615984
2-[4-(difluoromethyl)-3-(trifluoromethoxy)phenyl]acetic acid
CID 170998831
2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid
CID 82622241
4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene
CID 137409492

Frequently Asked Questions

What is the IUPAC name of 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid (CID 69474334) is 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid is CC(C)c1ccc(CC(=O)O)cc1C(F)(F)F.
What is the InChIKey of 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is WUSHKGMVRMNYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c1-7(2)9-4-3-8(6-11(16)17)5-10(9)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid?
2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 246.23 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 69474334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).