1,3,5-trifluoronaphthalene-2,6-diol

C10H5F3O2 — CID 18457184

IUPAC1,3,5-trifluoronaphthalene-2,6-diol
SMILESOc1ccc2c(F)c(O)c(F)cc2c1F
InChIInChI=1S/C10H5F3O2/c11-6-3-5-4(9(13)10(6)15)1-2-7(14)8(5)12/h1-3,14-15H
InChIKeyVARCHHJMWGZKPA-UHFFFAOYSA-N
MW214.14 g/mol
LogP2.67
Rot. Bonds

About 1,3,5-trifluoronaphthalene-2,6-diol

1,3,5-trifluoronaphthalene-2,6-diol (PubChem CID 18457184) has the molecular formula C10H5F3O2 and a molecular weight of 214.14 g/mol. Its IUPAC name is 1,3,5-trifluoronaphthalene-2,6-diol.

Molecular Properties

Compound Name1,3,5-trifluoronaphthalene-2,6-diol
PubChem CID18457184
Molecular FormulaC10H5F3O2
Molecular Weight214.14 g/mol
Exact Mass214.02
IUPAC Name1,3,5-trifluoronaphthalene-2,6-diol
SMILESOc1ccc2c(F)c(O)c(F)cc2c1F
InChIInChI=1S/C10H5F3O2/c11-6-3-5-4(9(13)10(6)15)1-2-7(14)8(5)12/h1-3,14-15H
InChIKeyVARCHHJMWGZKPA-UHFFFAOYSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trifluoronaphthalene-2,6-diol?
The IUPAC name of 1,3,5-trifluoronaphthalene-2,6-diol (CID 18457184) is 1,3,5-trifluoronaphthalene-2,6-diol.
What is the SMILES notation for 1,3,5-trifluoronaphthalene-2,6-diol?
The canonical SMILES for 1,3,5-trifluoronaphthalene-2,6-diol is Oc1ccc2c(F)c(O)c(F)cc2c1F.
What is the InChIKey of 1,3,5-trifluoronaphthalene-2,6-diol?
The InChIKey is VARCHHJMWGZKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3O2/c11-6-3-5-4(9(13)10(6)15)1-2-7(14)8(5)12/h1-3,14-15H.
What are the key properties of 1,3,5-trifluoronaphthalene-2,6-diol?
1,3,5-trifluoronaphthalene-2,6-diol has a molecular weight of 214.14 g/mol, XLogP of 2.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trifluoronaphthalene-2,6-diol is sourced from PubChem (CID 18457184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).