2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid

C16H10F6O3 — CID 118990950

IUPAC2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2OC(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C16H10F6O3/c17-15(18,19)12-6-3-5-9(11(12)8-14(23)24)10-4-1-2-7-13(10)25-16(20,21)22/h1-7H,8H2,(H,23,24)
InChIKeyJFYIHDSPUXHIQA-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.90
Rot. Bonds4

About 2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid

2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid (PubChem CID 118990950) has the molecular formula C16H10F6O3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid
PubChem CID118990950
Molecular FormulaC16H10F6O3
Molecular Weight364.24 g/mol
Exact Mass364.05
IUPAC Name2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2OC(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C16H10F6O3/c17-15(18,19)12-6-3-5-9(11(12)8-14(23)24)10-4-1-2-7-13(10)25-16(20,21)22/h1-7H,8H2,(H,23,24)
InChIKeyJFYIHDSPUXHIQA-UHFFFAOYSA-N
XLogP4.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[2-(trifluoromethoxy)phenyl]-6-(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-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 118803810
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol
CID 134620434
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134621231
1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene
CID 134631115
2-[2,6-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134618210
2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134623593
[2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 134631493
2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134620790
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650
2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid
CID 118819095

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid (CID 118990950) is 2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid is O=C(O)Cc1c(-c2ccccc2OC(F)(F)F)cccc1C(F)(F)F.
What is the InChIKey of 2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is JFYIHDSPUXHIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O3/c17-15(18,19)12-6-3-5-9(11(12)8-14(23)24)10-4-1-2-7-13(10)25-16(20,21)22/h1-7H,8H2,(H,23,24).
What are the key properties of 2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid?
2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 364.24 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 118990950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).