4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol

C12H4F6O2 — CID 87916814

IUPAC4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol
SMILESOc1c(F)ccc(-c2c(F)c(F)c(O)c(F)c2F)c1F
InChIInChI=1S/C12H4F6O2/c13-4-2-1-3(6(14)11(4)19)5-7(15)9(17)12(20)10(18)8(5)16/h1-2,19-20H
InChIKeyFNOCHURFMFSXKL-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.60
Rot. Bonds1

About 4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol

4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol (PubChem CID 87916814) has the molecular formula C12H4F6O2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol.

Molecular Properties

Compound Name4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol
PubChem CID87916814
Molecular FormulaC12H4F6O2
Molecular Weight294.15 g/mol
Exact Mass294.01
IUPAC Name4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol
SMILESOc1c(F)ccc(-c2c(F)c(F)c(O)c(F)c2F)c1F
InChIInChI=1S/C12H4F6O2/c13-4-2-1-3(6(14)11(4)19)5-7(15)9(17)12(20)10(18)8(5)16/h1-2,19-20H
InChIKeyFNOCHURFMFSXKL-UHFFFAOYSA-N
XLogP3.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.60
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 4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol?
The IUPAC name of 4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol (CID 87916814) is 4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol.
What is the SMILES notation for 4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol?
The canonical SMILES for 4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol is Oc1c(F)ccc(-c2c(F)c(F)c(O)c(F)c2F)c1F.
What is the InChIKey of 4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol?
The InChIKey is FNOCHURFMFSXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F6O2/c13-4-2-1-3(6(14)11(4)19)5-7(15)9(17)12(20)10(18)8(5)16/h1-2,19-20H.
What are the key properties of 4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol?
4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol has a molecular weight of 294.15 g/mol, XLogP of 3.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol is sourced from PubChem (CID 87916814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).