4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid

C16H10F6O6 — CID 137406794

IUPAC4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(OC(F)F)cc(F)c1C(=O)O
InChIInChI=1S/C16H10F6O6/c1-25-11-5-7(28-16(20,21)22)2-3-10(11)27-12-6-8(26-15(18)19)4-9(17)13(12)14(23)24/h2-6,15H,1H3,(H,23,24)
InChIKeyAZCUXOYBAVADAZ-UHFFFAOYSA-N
MW412.24 g/mol
LogP4.82
Rot. Bonds7

About 4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid

4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid (PubChem CID 137406794) has the molecular formula C16H10F6O6 and a molecular weight of 412.24 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid
PubChem CID137406794
Molecular FormulaC16H10F6O6
Molecular Weight412.24 g/mol
Exact Mass412.04
IUPAC Name4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(OC(F)F)cc(F)c1C(=O)O
InChIInChI=1S/C16H10F6O6/c1-25-11-5-7(28-16(20,21)22)2-3-10(11)27-12-6-8(26-15(18)19)4-9(17)13(12)14(23)24/h2-6,15H,1H3,(H,23,24)
InChIKeyAZCUXOYBAVADAZ-UHFFFAOYSA-N
XLogP4.82
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid
CID 154645121
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
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
CID 170836985
5-fluoro-2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzoic acid
CID 154643769
methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate
CID 154984490
4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide
CID 137418756
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
4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406813
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

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid?
The IUPAC name of 4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid (CID 137406794) is 4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid.
What is the SMILES notation for 4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid?
The canonical SMILES for 4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid is COc1cc(OC(F)(F)F)ccc1Oc1cc(OC(F)F)cc(F)c1C(=O)O.
What is the InChIKey of 4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid?
The InChIKey is AZCUXOYBAVADAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O6/c1-25-11-5-7(28-16(20,21)22)2-3-10(11)27-12-6-8(26-15(18)19)4-9(17)13(12)14(23)24/h2-6,15H,1H3,(H,23,24).
What are the key properties of 4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid?
4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid has a molecular weight of 412.24 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid is sourced from PubChem (CID 137406794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).