3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoic acid

C16H15F3O4 — CID 13384291

IUPAC3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoic acid
SMILESCOc1ccc2cc(COC(C)(C(=O)O)C(F)(F)F)ccc2c1
InChIInChI=1S/C16H15F3O4/c1-15(14(20)21,16(17,18)19)23-9-10-3-4-12-8-13(22-2)6-5-11(12)7-10/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyOKTFZPGUFFKMES-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.77
Rot. Bonds5

About 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoic acid

3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoic acid (PubChem CID 13384291) has the molecular formula C16H15F3O4 and a molecular weight of 328.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoic acid
PubChem CID13384291
Molecular FormulaC16H15F3O4
Molecular Weight328.29 g/mol
Exact Mass328.09
IUPAC Name3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoic acid
SMILESCOc1ccc2cc(COC(C)(C(=O)O)C(F)(F)F)ccc2c1
InChIInChI=1S/C16H15F3O4/c1-15(14(20)21,16(17,18)19)23-9-10-3-4-12-8-13(22-2)6-5-11(12)7-10/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyOKTFZPGUFFKMES-UHFFFAOYSA-N
XLogP3.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoic acid (CID 13384291) is 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoic acid is COc1ccc2cc(COC(C)(C(=O)O)C(F)(F)F)ccc2c1.
What is the InChIKey of 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoic acid?
The InChIKey is OKTFZPGUFFKMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O4/c1-15(14(20)21,16(17,18)19)23-9-10-3-4-12-8-13(22-2)6-5-11(12)7-10/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoic acid?
3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoic acid has a molecular weight of 328.29 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 13384291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).