6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol

C16H8F4O2 — CID 118286198

IUPAC6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol
SMILESOc1ccc2cc(-c3c(F)c(F)c(O)c(F)c3F)ccc2c1
InChIInChI=1S/C16H8F4O2/c17-12-11(13(18)15(20)16(22)14(12)19)9-2-1-8-6-10(21)4-3-7(8)5-9/h1-6,21-22H
InChIKeyMZUWYYHZUGBJET-UHFFFAOYSA-N
MW308.23 g/mol
LogP4.47
Rot. Bonds1

About 6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol

6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol (PubChem CID 118286198) has the molecular formula C16H8F4O2 and a molecular weight of 308.23 g/mol. Its IUPAC name is 6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol
PubChem CID118286198
Molecular FormulaC16H8F4O2
Molecular Weight308.23 g/mol
Exact Mass308.05
IUPAC Name6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol
SMILESOc1ccc2cc(-c3c(F)c(F)c(O)c(F)c3F)ccc2c1
InChIInChI=1S/C16H8F4O2/c17-12-11(13(18)15(20)16(22)14(12)19)9-2-1-8-6-10(21)4-3-7(8)5-9/h1-6,21-22H
InChIKeyMZUWYYHZUGBJET-UHFFFAOYSA-N
XLogP4.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol?
The IUPAC name of 6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol (CID 118286198) is 6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol?
The canonical SMILES for 6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol is Oc1ccc2cc(-c3c(F)c(F)c(O)c(F)c3F)ccc2c1.
What is the InChIKey of 6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol?
The InChIKey is MZUWYYHZUGBJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F4O2/c17-12-11(13(18)15(20)16(22)14(12)19)9-2-1-8-6-10(21)4-3-7(8)5-9/h1-6,21-22H.
What are the key properties of 6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol?
6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol has a molecular weight of 308.23 g/mol, XLogP of 4.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 118286198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).