2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid

C15H9F5O5 — CID 154645121

IUPAC2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(F)cc(F)c1C(=O)O
InChIInChI=1S/C15H9F5O5/c1-23-11-6-8(25-15(18,19)20)2-3-10(11)24-12-5-7(16)4-9(17)13(12)14(21)22/h2-6H,1H3,(H,21,22)
InChIKeyMWPFDVUHUYAJST-UHFFFAOYSA-N
MW364.22 g/mol
LogP4.36
Rot. Bonds5

About 2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid

2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid (PubChem CID 154645121) has the molecular formula C15H9F5O5 and a molecular weight of 364.22 g/mol. Its IUPAC name is 2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid.

Molecular Properties

Compound Name2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid
PubChem CID154645121
Molecular FormulaC15H9F5O5
Molecular Weight364.22 g/mol
Exact Mass364.04
IUPAC Name2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(F)cc(F)c1C(=O)O
InChIInChI=1S/C15H9F5O5/c1-23-11-6-8(25-15(18,19)20)2-3-10(11)24-12-5-7(16)4-9(17)13(12)14(21)22/h2-6H,1H3,(H,21,22)
InChIKeyMWPFDVUHUYAJST-UHFFFAOYSA-N
XLogP4.36
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid
CID 137406794
methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate
CID 154984490
4-(difluoromethoxy)-2-fluoro-6-[[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]methyl]benzoic acid
CID 175008778
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
methyl 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxylate
CID 137406864
5-fluoro-2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzoic acid
CID 154643769
2-fluoro-3-formyl-6-[[2-methoxy-4-(trifluoromethoxy)phenoxy]methyl]benzoic acid
CID 175010302
4-cyclopropyl-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-methylbenzamide
CID 154645531
3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carbonyl chloride;3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162050583
methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170997187
4-(4-fluorophenoxy)-3-methoxybenzoic acid
CID 170440931
4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid
CID 137406464

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid?
The IUPAC name of 2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid (CID 154645121) is 2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid.
What is the SMILES notation for 2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid?
The canonical SMILES for 2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid is COc1cc(OC(F)(F)F)ccc1Oc1cc(F)cc(F)c1C(=O)O.
What is the InChIKey of 2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid?
The InChIKey is MWPFDVUHUYAJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5O5/c1-23-11-6-8(25-15(18,19)20)2-3-10(11)24-12-5-7(16)4-9(17)13(12)14(21)22/h2-6H,1H3,(H,21,22).
What are the key properties of 2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid?
2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid has a molecular weight of 364.22 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid is sourced from PubChem (CID 154645121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).