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

C12F10O — CID 631653

IUPAC1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenoxy)benzene
SMILESFc1c(F)c(F)c(Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C12F10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
InChIKeyQJHMHZVVRVXKOY-UHFFFAOYSA-N
MW350.11 g/mol
LogP4.87
Rot. Bonds2

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

1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenoxy)benzene (PubChem CID 631653) has the molecular formula C12F10O and a molecular weight of 350.11 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenoxy)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenoxy)benzene
PubChem CID631653
Molecular FormulaC12F10O
Molecular Weight350.11 g/mol
Exact Mass349.98
IUPAC Name1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenoxy)benzene
SMILESFc1c(F)c(F)c(Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C12F10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
InChIKeyQJHMHZVVRVXKOY-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 54.87
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-(2,3,4,5,6-pentafluorophenoxy)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenoxy)benzene (CID 631653) is 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenoxy)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenoxy)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenoxy)benzene is Fc1c(F)c(F)c(Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenoxy)benzene?
The InChIKey is QJHMHZVVRVXKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenoxy)benzene?
1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenoxy)benzene has a molecular weight of 350.11 g/mol, XLogP of 4.87, 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-(2,3,4,5,6-pentafluorophenoxy)benzene is sourced from PubChem (CID 631653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).