2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol

C12H5F5O2 — CID 87916889

IUPAC2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol
SMILESOc1cccc(F)c1-c1c(F)c(F)c(O)c(F)c1F
InChIInChI=1S/C12H5F5O2/c13-4-2-1-3-5(18)6(4)7-8(14)10(16)12(19)11(17)9(7)15/h1-3,18-19H
InChIKeyOQYFYJWXJOWIRT-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.46
Rot. Bonds1

About 2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol

2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol (PubChem CID 87916889) has the molecular formula C12H5F5O2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol
PubChem CID87916889
Molecular FormulaC12H5F5O2
Molecular Weight276.16 g/mol
Exact Mass276.02
IUPAC Name2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol
SMILESOc1cccc(F)c1-c1c(F)c(F)c(O)c(F)c1F
InChIInChI=1S/C12H5F5O2/c13-4-2-1-3-5(18)6(4)7-8(14)10(16)12(19)11(17)9(7)15/h1-3,18-19H
InChIKeyOQYFYJWXJOWIRT-UHFFFAOYSA-N
XLogP3.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.46
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 2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol (CID 87916889) is 2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol is Oc1cccc(F)c1-c1c(F)c(F)c(O)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol?
The InChIKey is OQYFYJWXJOWIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F5O2/c13-4-2-1-3-5(18)6(4)7-8(14)10(16)12(19)11(17)9(7)15/h1-3,18-19H.
What are the key properties of 2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol?
2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol has a molecular weight of 276.16 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol is sourced from PubChem (CID 87916889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).