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

C12H3F7O2 — CID 166987070

IUPAC2,3,5,6-tetrafluoro-4-(2,3,5-trifluorophenoxy)phenol
SMILESOc1c(F)c(F)c(Oc2cc(F)cc(F)c2F)c(F)c1F
InChIInChI=1S/C12H3F7O2/c13-3-1-4(14)6(15)5(2-3)21-12-9(18)7(16)11(20)8(17)10(12)19/h1-2,20H
InChIKeyGNPGLGIQXAXLMU-UHFFFAOYSA-N
MW312.14 g/mol
LogP4.16
Rot. Bonds2

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

2,3,5,6-tetrafluoro-4-(2,3,5-trifluorophenoxy)phenol (PubChem CID 166987070) has the molecular formula C12H3F7O2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(2,3,5-trifluorophenoxy)phenol.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(2,3,5-trifluorophenoxy)phenol
PubChem CID166987070
Molecular FormulaC12H3F7O2
Molecular Weight312.14 g/mol
Exact Mass312.00
IUPAC Name2,3,5,6-tetrafluoro-4-(2,3,5-trifluorophenoxy)phenol
SMILESOc1c(F)c(F)c(Oc2cc(F)cc(F)c2F)c(F)c1F
InChIInChI=1S/C12H3F7O2/c13-3-1-4(14)6(15)5(2-3)21-12-9(18)7(16)11(20)8(17)10(12)19/h1-2,20H
InChIKeyGNPGLGIQXAXLMU-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 54.16
H-Bond Donors ≤ 51
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-(2,3,5-trifluorophenoxy)phenol?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(2,3,5-trifluorophenoxy)phenol (CID 166987070) is 2,3,5,6-tetrafluoro-4-(2,3,5-trifluorophenoxy)phenol.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(2,3,5-trifluorophenoxy)phenol?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(2,3,5-trifluorophenoxy)phenol is Oc1c(F)c(F)c(Oc2cc(F)cc(F)c2F)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(2,3,5-trifluorophenoxy)phenol?
The InChIKey is GNPGLGIQXAXLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F7O2/c13-3-1-4(14)6(15)5(2-3)21-12-9(18)7(16)11(20)8(17)10(12)19/h1-2,20H.
What are the key properties of 2,3,5,6-tetrafluoro-4-(2,3,5-trifluorophenoxy)phenol?
2,3,5,6-tetrafluoro-4-(2,3,5-trifluorophenoxy)phenol has a molecular weight of 312.14 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(2,3,5-trifluorophenoxy)phenol is sourced from PubChem (CID 166987070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).