2,3,4,6-tetrafluoro-5-(2-fluorophenoxy)phenol

C12H5F5O2 — CID 129188658

IUPAC2,3,4,6-tetrafluoro-5-(2-fluorophenoxy)phenol
SMILESOc1c(F)c(F)c(F)c(Oc2ccccc2F)c1F
InChIInChI=1S/C12H5F5O2/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)11(18)10(12)17/h1-4,18H
InChIKeyIDDQZAUBLBKAEB-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.88
Rot. Bonds2

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

2,3,4,6-tetrafluoro-5-(2-fluorophenoxy)phenol (PubChem CID 129188658) has the molecular formula C12H5F5O2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 2,3,4,6-tetrafluoro-5-(2-fluorophenoxy)phenol.

Molecular Properties

Compound Name2,3,4,6-tetrafluoro-5-(2-fluorophenoxy)phenol
PubChem CID129188658
Molecular FormulaC12H5F5O2
Molecular Weight276.16 g/mol
Exact Mass276.02
IUPAC Name2,3,4,6-tetrafluoro-5-(2-fluorophenoxy)phenol
SMILESOc1c(F)c(F)c(F)c(Oc2ccccc2F)c1F
InChIInChI=1S/C12H5F5O2/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)11(18)10(12)17/h1-4,18H
InChIKeyIDDQZAUBLBKAEB-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrafluoro-5-(2-fluorophenoxy)phenol?
The IUPAC name of 2,3,4,6-tetrafluoro-5-(2-fluorophenoxy)phenol (CID 129188658) is 2,3,4,6-tetrafluoro-5-(2-fluorophenoxy)phenol.
What is the SMILES notation for 2,3,4,6-tetrafluoro-5-(2-fluorophenoxy)phenol?
The canonical SMILES for 2,3,4,6-tetrafluoro-5-(2-fluorophenoxy)phenol is Oc1c(F)c(F)c(F)c(Oc2ccccc2F)c1F.
What is the InChIKey of 2,3,4,6-tetrafluoro-5-(2-fluorophenoxy)phenol?
The InChIKey is IDDQZAUBLBKAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F5O2/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)11(18)10(12)17/h1-4,18H.
What are the key properties of 2,3,4,6-tetrafluoro-5-(2-fluorophenoxy)phenol?
2,3,4,6-tetrafluoro-5-(2-fluorophenoxy)phenol has a molecular weight of 276.16 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrafluoro-5-(2-fluorophenoxy)phenol is sourced from PubChem (CID 129188658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).