2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid

C12H13F3O5 — CID 103372216

IUPAC2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid
SMILESCOc1cccc(OC)c1OCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C12H13F3O5/c1-18-8-4-3-5-9(19-2)10(8)20-6-7(11(16)17)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyBFHJHQNDXMRYFO-UHFFFAOYSA-N
MW294.23 g/mol
LogP2.35
Rot. Bonds6

About 2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid

2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 103372216) has the molecular formula C12H13F3O5 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid
PubChem CID103372216
Molecular FormulaC12H13F3O5
Molecular Weight294.23 g/mol
Exact Mass294.07
IUPAC Name2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid
SMILESCOc1cccc(OC)c1OCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C12H13F3O5/c1-18-8-4-3-5-9(19-2)10(8)20-6-7(11(16)17)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyBFHJHQNDXMRYFO-UHFFFAOYSA-N
XLogP2.35
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid
CID 103372362
2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid
CID 170997113
2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid
CID 83136429
1-[(2R)-3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 52531269
3,3,3-trifluoro-2-[(4-fluoro-3-methoxyanilino)methyl]propanoic acid
CID 103269167
(2,3-dimethoxyphenyl) trifluoromethanesulfonate
CID 22096593
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
1-(2,6-dimethoxyphenoxy)propan-2-ylhydrazine
CID 112512168
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
5-(2,6-dimethoxyphenoxy)pentan-2-one
CID 43793515
[2-(2,2-difluoroethoxy)-3-methoxyphenyl]methanol
CID 60922673
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid (CID 103372216) is 2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid is COc1cccc(OC)c1OCC(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is BFHJHQNDXMRYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O5/c1-18-8-4-3-5-9(19-2)10(8)20-6-7(11(16)17)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid?
2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 294.23 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 103372216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).