2-(trifluoromethoxy)naphthalen-1-olate

C11H6F3O2- — CID 22090504

IUPAC2-(trifluoromethoxy)naphthalen-1-olate
SMILES[O-]c1c(OC(F)(F)F)ccc2ccccc12
InChIInChI=1S/C11H7F3O2/c12-11(13,14)16-9-6-5-7-3-1-2-4-8(7)10(9)15/h1-6,15H/p-1
InChIKeyYJLXGYYAEKNRDF-UHFFFAOYSA-M
MW227.16 g/mol
LogP2.81
Rot. Bonds1

About 2-(trifluoromethoxy)naphthalen-1-olate

2-(trifluoromethoxy)naphthalen-1-olate (PubChem CID 22090504) has the molecular formula C11H6F3O2- and a molecular weight of 227.16 g/mol. Its IUPAC name is 2-(trifluoromethoxy)naphthalen-1-olate.

Molecular Properties

Compound Name2-(trifluoromethoxy)naphthalen-1-olate
PubChem CID22090504
Molecular FormulaC11H6F3O2-
Molecular Weight227.16 g/mol
Exact Mass227.03
IUPAC Name2-(trifluoromethoxy)naphthalen-1-olate
SMILES[O-]c1c(OC(F)(F)F)ccc2ccccc12
InChIInChI=1S/C11H7F3O2/c12-11(13,14)16-9-6-5-7-3-1-2-4-8(7)10(9)15/h1-6,15H/p-1
InChIKeyYJLXGYYAEKNRDF-UHFFFAOYSA-M
XLogP2.81
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)naphthalen-1-olate?
The IUPAC name of 2-(trifluoromethoxy)naphthalen-1-olate (CID 22090504) is 2-(trifluoromethoxy)naphthalen-1-olate.
What is the SMILES notation for 2-(trifluoromethoxy)naphthalen-1-olate?
The canonical SMILES for 2-(trifluoromethoxy)naphthalen-1-olate is [O-]c1c(OC(F)(F)F)ccc2ccccc12.
What is the InChIKey of 2-(trifluoromethoxy)naphthalen-1-olate?
The InChIKey is YJLXGYYAEKNRDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H7F3O2/c12-11(13,14)16-9-6-5-7-3-1-2-4-8(7)10(9)15/h1-6,15H/p-1.
What are the key properties of 2-(trifluoromethoxy)naphthalen-1-olate?
2-(trifluoromethoxy)naphthalen-1-olate has a molecular weight of 227.16 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)naphthalen-1-olate is sourced from PubChem (CID 22090504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).