3-(2,2-difluoroethoxy)-2,4,5,6-tetrafluorophenol

C8H4F6O2 — CID 89344987

IUPAC3-(2,2-difluoroethoxy)-2,4,5,6-tetrafluorophenol
SMILESOc1c(F)c(F)c(F)c(OCC(F)F)c1F
InChIInChI=1S/C8H4F6O2/c9-2(10)1-16-8-5(13)3(11)4(12)7(15)6(8)14/h2,15H,1H2
InChIKeyPBEMUXBEELRKEX-UHFFFAOYSA-N
MW246.11 g/mol
LogP2.59
Rot. Bonds3

About 3-(2,2-difluoroethoxy)-2,4,5,6-tetrafluorophenol

3-(2,2-difluoroethoxy)-2,4,5,6-tetrafluorophenol (PubChem CID 89344987) has the molecular formula C8H4F6O2 and a molecular weight of 246.11 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-2,4,5,6-tetrafluorophenol.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-2,4,5,6-tetrafluorophenol
PubChem CID89344987
Molecular FormulaC8H4F6O2
Molecular Weight246.11 g/mol
Exact Mass246.01
IUPAC Name3-(2,2-difluoroethoxy)-2,4,5,6-tetrafluorophenol
SMILESOc1c(F)c(F)c(F)c(OCC(F)F)c1F
InChIInChI=1S/C8H4F6O2/c9-2(10)1-16-8-5(13)3(11)4(12)7(15)6(8)14/h2,15H,1H2
InChIKeyPBEMUXBEELRKEX-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 52.59
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 3-(2,2-difluoroethoxy)-2,4,5,6-tetrafluorophenol?
The IUPAC name of 3-(2,2-difluoroethoxy)-2,4,5,6-tetrafluorophenol (CID 89344987) is 3-(2,2-difluoroethoxy)-2,4,5,6-tetrafluorophenol.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-2,4,5,6-tetrafluorophenol?
The canonical SMILES for 3-(2,2-difluoroethoxy)-2,4,5,6-tetrafluorophenol is Oc1c(F)c(F)c(F)c(OCC(F)F)c1F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-2,4,5,6-tetrafluorophenol?
The InChIKey is PBEMUXBEELRKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6O2/c9-2(10)1-16-8-5(13)3(11)4(12)7(15)6(8)14/h2,15H,1H2.
What are the key properties of 3-(2,2-difluoroethoxy)-2,4,5,6-tetrafluorophenol?
3-(2,2-difluoroethoxy)-2,4,5,6-tetrafluorophenol has a molecular weight of 246.11 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-2,4,5,6-tetrafluorophenol is sourced from PubChem (CID 89344987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).