5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid

C15H8F6O3 — CID 118831979

IUPAC5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(-c2ccccc2OC(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C15H8F6O3/c16-14(17,18)11-6-5-8(7-10(11)13(22)23)9-3-1-2-4-12(9)24-15(19,20)21/h1-7H,(H,22,23)
InChIKeyPROVRXGJHHWJDX-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.97
Rot. Bonds3

About 5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid

5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid (PubChem CID 118831979) has the molecular formula C15H8F6O3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid
PubChem CID118831979
Molecular FormulaC15H8F6O3
Molecular Weight350.21 g/mol
Exact Mass350.04
IUPAC Name5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(-c2ccccc2OC(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C15H8F6O3/c16-14(17,18)11-6-5-8(7-10(11)13(22)23)9-3-1-2-4-12(9)24-15(19,20)21/h1-7H,(H,22,23)
InChIKeyPROVRXGJHHWJDX-UHFFFAOYSA-N
XLogP4.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 134628353
5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 46314102
2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 118803810
1-methyl-5-[2-(trifluoromethoxy)phenyl]indole-3-carboxylic acid
CID 172654697
4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 118805901
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid
CID 46314414
2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134620786
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118819339
5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 103694050
ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate
CID 134633451
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid (CID 118831979) is 5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid is O=C(O)c1cc(-c2ccccc2OC(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of 5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid?
The InChIKey is PROVRXGJHHWJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6O3/c16-14(17,18)11-6-5-8(7-10(11)13(22)23)9-3-1-2-4-12(9)24-15(19,20)21/h1-7H,(H,22,23).
What are the key properties of 5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid?
5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid has a molecular weight of 350.21 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 118831979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).