5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid

C18H8F6O8 — CID 175474580

IUPAC5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)c1c(C(=O)O)c(C(=O)O)c(C(F)(F)F)c(-c2ccccc2C(F)(F)F)c1C(=O)O
InChIInChI=1S/C18H8F6O8/c19-17(20,21)6-4-2-1-3-5(6)7-8(13(25)26)9(14(27)28)10(15(29)30)11(16(31)32)12(7)18(22,23)24/h1-4H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChIKeyIIANMIAUKKLMQS-UHFFFAOYSA-N
MW466.24 g/mol
LogP4.18
Rot. Bonds5

About 5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid

5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid (PubChem CID 175474580) has the molecular formula C18H8F6O8 and a molecular weight of 466.24 g/mol. Its IUPAC name is 5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid
PubChem CID175474580
Molecular FormulaC18H8F6O8
Molecular Weight466.24 g/mol
Exact Mass466.01
IUPAC Name5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)c1c(C(=O)O)c(C(=O)O)c(C(F)(F)F)c(-c2ccccc2C(F)(F)F)c1C(=O)O
InChIInChI=1S/C18H8F6O8/c19-17(20,21)6-4-2-1-3-5(6)7-8(13(25)26)9(14(27)28)10(15(29)30)11(16(31)32)12(7)18(22,23)24/h1-4H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChIKeyIIANMIAUKKLMQS-UHFFFAOYSA-N
XLogP4.18
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.24
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid with MolForge

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Related Compounds

4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid
CID 115069883
3-methyl-2-[2-(trifluoromethyl)phenyl]benzoic acid
CID 67230455
3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134626264
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid
CID 56636800
4-[2,3-bis(trifluoromethyl)phenyl]benzoic acid
CID 87400968
2-pyridin-4-yl-6-(trifluoromethyl)benzoic acid
CID 46316119
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 24729991
4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 117222383
2,6-bis(trichloromethyl)benzoic acid;2,6-bis(trifluoromethyl)benzoic acid
CID 159936045

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid (CID 175474580) is 5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid is O=C(O)c1c(C(=O)O)c(C(=O)O)c(C(F)(F)F)c(-c2ccccc2C(F)(F)F)c1C(=O)O.
What is the InChIKey of 5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid?
The InChIKey is IIANMIAUKKLMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8F6O8/c19-17(20,21)6-4-2-1-3-5(6)7-8(13(25)26)9(14(27)28)10(15(29)30)11(16(31)32)12(7)18(22,23)24/h1-4H,(H,25,26)(H,27,28)(H,29,30)(H,31,32).
What are the key properties of 5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid?
5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid has a molecular weight of 466.24 g/mol, XLogP of 4.18, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 175474580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).