3,3,3-trifluoro-2-methyl-2-(naphthalen-2-ylmethoxy)propanoic acid

C15H13F3O3 — CID 13384287

IUPAC3,3,3-trifluoro-2-methyl-2-(naphthalen-2-ylmethoxy)propanoic acid
SMILESCC(OCc1ccc2ccccc2c1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C15H13F3O3/c1-14(13(19)20,15(16,17)18)21-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3,(H,19,20)
InChIKeyREBGWCLHTRLTAT-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.76
Rot. Bonds4

About 3,3,3-trifluoro-2-methyl-2-(naphthalen-2-ylmethoxy)propanoic acid

3,3,3-trifluoro-2-methyl-2-(naphthalen-2-ylmethoxy)propanoic acid (PubChem CID 13384287) has the molecular formula C15H13F3O3 and a molecular weight of 298.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-(naphthalen-2-ylmethoxy)propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-(naphthalen-2-ylmethoxy)propanoic acid
PubChem CID13384287
Molecular FormulaC15H13F3O3
Molecular Weight298.26 g/mol
Exact Mass298.08
IUPAC Name3,3,3-trifluoro-2-methyl-2-(naphthalen-2-ylmethoxy)propanoic acid
SMILESCC(OCc1ccc2ccccc2c1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C15H13F3O3/c1-14(13(19)20,15(16,17)18)21-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3,(H,19,20)
InChIKeyREBGWCLHTRLTAT-UHFFFAOYSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-(naphthalen-2-ylmethoxy)propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-(naphthalen-2-ylmethoxy)propanoic acid (CID 13384287) is 3,3,3-trifluoro-2-methyl-2-(naphthalen-2-ylmethoxy)propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-(naphthalen-2-ylmethoxy)propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-(naphthalen-2-ylmethoxy)propanoic acid is CC(OCc1ccc2ccccc2c1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-(naphthalen-2-ylmethoxy)propanoic acid?
The InChIKey is REBGWCLHTRLTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O3/c1-14(13(19)20,15(16,17)18)21-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-(naphthalen-2-ylmethoxy)propanoic acid?
3,3,3-trifluoro-2-methyl-2-(naphthalen-2-ylmethoxy)propanoic acid has a molecular weight of 298.26 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-(naphthalen-2-ylmethoxy)propanoic acid is sourced from PubChem (CID 13384287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).