5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid

C16H8F6O5 — CID 22079272

IUPAC5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid
SMILESO=C(O)c1cc(OC(F)(F)F)ccc1C(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H8F6O5/c17-15(18,19)26-9-3-1-2-8(6-9)13(23)11-5-4-10(27-16(20,21)22)7-12(11)14(24)25/h1-7H,(H,24,25)
InChIKeyTZXNVOMMKRACOY-UHFFFAOYSA-N
MW394.22 g/mol
LogP4.41
Rot. Bonds5

About 5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid

5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid (PubChem CID 22079272) has the molecular formula C16H8F6O5 and a molecular weight of 394.22 g/mol. Its IUPAC name is 5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid.

Molecular Properties

Compound Name5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid
PubChem CID22079272
Molecular FormulaC16H8F6O5
Molecular Weight394.22 g/mol
Exact Mass394.03
IUPAC Name5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid
SMILESO=C(O)c1cc(OC(F)(F)F)ccc1C(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H8F6O5/c17-15(18,19)26-9-3-1-2-8(6-9)13(23)11-5-4-10(27-16(20,21)22)7-12(11)14(24)25/h1-7H,(H,24,25)
InChIKeyTZXNVOMMKRACOY-UHFFFAOYSA-N
XLogP4.41
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.22
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(trifluoromethoxy)benzoyl]-5-(trifluoromethyl)benzoic acid
CID 22079233
4-nitro-2-[3-(trifluoromethoxy)benzoyl]benzoic acid
CID 22079239
[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone
CID 767339
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 22079253
(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116548826
bis[3-(trifluoromethoxy)phenyl]methanone;1-bromo-3-(trifluoromethoxy)benzene;methane
CID 159656585
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
(3-amino-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 53414379
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
2-carboxy-4-(trifluoromethoxy)phenolate
CID 54711457
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
2-phenyl-5-(trifluoromethoxy)benzoic acid
CID 146035183

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid?
The IUPAC name of 5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid (CID 22079272) is 5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid.
What is the SMILES notation for 5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid?
The canonical SMILES for 5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid is O=C(O)c1cc(OC(F)(F)F)ccc1C(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid?
The InChIKey is TZXNVOMMKRACOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F6O5/c17-15(18,19)26-9-3-1-2-8(6-9)13(23)11-5-4-10(27-16(20,21)22)7-12(11)14(24)25/h1-7H,(H,24,25).
What are the key properties of 5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid?
5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid has a molecular weight of 394.22 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid is sourced from PubChem (CID 22079272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).