1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene

C13H15F3O — CID 167462559

IUPAC1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCOC1CCCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H15F3O/c1-2-17-12-5-3-4-9-8-10(13(14,15)16)6-7-11(9)12/h6-8,12H,2-5H2,1H3
InChIKeyYZVXKSWGHPRXKQ-UHFFFAOYSA-N
MW244.26 g/mol
LogP4.12
Rot. Bonds2

About 1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene

1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 167462559) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID167462559
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCOC1CCCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H15F3O/c1-2-17-12-5-3-4-9-8-10(13(14,15)16)6-7-11(9)12/h6-8,12H,2-5H2,1H3
InChIKeyYZVXKSWGHPRXKQ-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene (CID 167462559) is 1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene is CCOC1CCCc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is YZVXKSWGHPRXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-2-17-12-5-3-4-9-8-10(13(14,15)16)6-7-11(9)12/h6-8,12H,2-5H2,1H3.
What are the key properties of 1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 244.26 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 167462559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).