2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid

C9H7F3O4 — CID 164892738

IUPAC2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid
SMILESCOCOc1c(F)cc(F)c(C(=O)O)c1F
InChIInChI=1S/C9H7F3O4/c1-15-3-16-8-5(11)2-4(10)6(7(8)12)9(13)14/h2H,3H2,1H3,(H,13,14)
InChIKeyVEMDBEOESJBEHK-UHFFFAOYSA-N
MW236.14 g/mol
LogP1.78
Rot. Bonds4

About 2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid

2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid (PubChem CID 164892738) has the molecular formula C9H7F3O4 and a molecular weight of 236.14 g/mol. Its IUPAC name is 2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid.

Molecular Properties

Compound Name2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid
PubChem CID164892738
Molecular FormulaC9H7F3O4
Molecular Weight236.14 g/mol
Exact Mass236.03
IUPAC Name2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid
SMILESCOCOc1c(F)cc(F)c(C(=O)O)c1F
InChIInChI=1S/C9H7F3O4/c1-15-3-16-8-5(11)2-4(10)6(7(8)12)9(13)14/h2H,3H2,1H3,(H,13,14)
InChIKeyVEMDBEOESJBEHK-UHFFFAOYSA-N
XLogP1.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde
CID 163233297
2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde
CID 54157105
3,5-difluoro-4-(methoxymethoxy)aniline
CID 68615412
methyl 3-fluoro-4-(methoxymethoxy)-5-methylbenzoate
CID 58629751
5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
CID 164894429
[4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate
CID 174532407
2,3,6-trifluoro-4-(2-oxopropyl)benzoic acid
CID 117335713
3-but-2-enyl-2,4,6-trifluorobenzoic acid
CID 173080788
6-amino-4-fluoro-2,3-dimethoxybenzoic acid
CID 84783720
[2,4-difluoro-5-(methoxymethoxy)phenyl]boronic acid
CID 164891744
1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene
CID 10798945
1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone
CID 164895831

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid?
The IUPAC name of 2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid (CID 164892738) is 2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid.
What is the SMILES notation for 2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid?
The canonical SMILES for 2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid is COCOc1c(F)cc(F)c(C(=O)O)c1F.
What is the InChIKey of 2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid?
The InChIKey is VEMDBEOESJBEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O4/c1-15-3-16-8-5(11)2-4(10)6(7(8)12)9(13)14/h2H,3H2,1H3,(H,13,14).
What are the key properties of 2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid?
2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid has a molecular weight of 236.14 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid is sourced from PubChem (CID 164892738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).