1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethoxy)benzene

C8H2F8O — CID 2776026

IUPAC1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethoxy)benzene
SMILESFc1c(F)c(F)c(OCC(F)(F)F)c(F)c1F
InChIInChI=1S/C8H2F8O/c9-2-3(10)5(12)7(6(13)4(2)11)17-1-8(14,15)16/h1H2
InChIKeyMCVAIMHKNJBNTQ-UHFFFAOYSA-N
MW266.09 g/mol
LogP3.32
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethoxy)benzene

1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethoxy)benzene (PubChem CID 2776026) has the molecular formula C8H2F8O and a molecular weight of 266.09 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethoxy)benzene
PubChem CID2776026
Molecular FormulaC8H2F8O
Molecular Weight266.09 g/mol
Exact Mass266.00
IUPAC Name1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethoxy)benzene
SMILESFc1c(F)c(F)c(OCC(F)(F)F)c(F)c1F
InChIInChI=1S/C8H2F8O/c9-2-3(10)5(12)7(6(13)4(2)11)17-1-8(14,15)16/h1H2
InChIKeyMCVAIMHKNJBNTQ-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethoxy)benzene (CID 2776026) is 1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethoxy)benzene is Fc1c(F)c(F)c(OCC(F)(F)F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is MCVAIMHKNJBNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F8O/c9-2-3(10)5(12)7(6(13)4(2)11)17-1-8(14,15)16/h1H2.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethoxy)benzene?
1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 266.09 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 2776026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).