(1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol

C15H15F3O3 — CID 79014754

IUPAC(1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol
SMILESC[C@@H](O)c1ccc2ccccc2c1OCCOC(F)(F)F
InChIInChI=1S/C15H15F3O3/c1-10(19)12-7-6-11-4-2-3-5-13(11)14(12)20-8-9-21-15(16,17)18/h2-7,10,19H,8-9H2,1H3/t10-/m1/s1
InChIKeyWRWVTJYFQLOKND-SNVBAGLBSA-N
MW300.28 g/mol
LogP3.81
Rot. Bonds5

About (1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol

(1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol (PubChem CID 79014754) has the molecular formula C15H15F3O3 and a molecular weight of 300.28 g/mol. Its IUPAC name is (1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol
PubChem CID79014754
Molecular FormulaC15H15F3O3
Molecular Weight300.28 g/mol
Exact Mass300.10
IUPAC Name(1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol
SMILESC[C@@H](O)c1ccc2ccccc2c1OCCOC(F)(F)F
InChIInChI=1S/C15H15F3O3/c1-10(19)12-7-6-11-4-2-3-5-13(11)14(12)20-8-9-21-15(16,17)18/h2-7,10,19H,8-9H2,1H3/t10-/m1/s1
InChIKeyWRWVTJYFQLOKND-SNVBAGLBSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol?
The IUPAC name of (1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol (CID 79014754) is (1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol is C[C@@H](O)c1ccc2ccccc2c1OCCOC(F)(F)F.
What is the InChIKey of (1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol?
The InChIKey is WRWVTJYFQLOKND-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15F3O3/c1-10(19)12-7-6-11-4-2-3-5-13(11)14(12)20-8-9-21-15(16,17)18/h2-7,10,19H,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol?
(1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol has a molecular weight of 300.28 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol is sourced from PubChem (CID 79014754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).