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

C8F10 — CID 23235281

IUPAC1,2,3,4,5-pentafluoro-6-(1,1,2,2,2-pentafluoroethyl)benzene
SMILESFc1c(F)c(F)c(C(F)(F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C8F10/c9-2-1(7(14,15)8(16,17)18)3(10)5(12)6(13)4(2)11
InChIKeyBMFPHHLKGOOCHE-UHFFFAOYSA-N
MW286.07 g/mol
LogP4.04
Rot. Bonds1

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

1,2,3,4,5-pentafluoro-6-(1,1,2,2,2-pentafluoroethyl)benzene (PubChem CID 23235281) has the molecular formula C8F10 and a molecular weight of 286.07 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(1,1,2,2,2-pentafluoroethyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(1,1,2,2,2-pentafluoroethyl)benzene
PubChem CID23235281
Molecular FormulaC8F10
Molecular Weight286.07 g/mol
Exact Mass285.98
IUPAC Name1,2,3,4,5-pentafluoro-6-(1,1,2,2,2-pentafluoroethyl)benzene
SMILESFc1c(F)c(F)c(C(F)(F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C8F10/c9-2-1(7(14,15)8(16,17)18)3(10)5(12)6(13)4(2)11
InChIKeyBMFPHHLKGOOCHE-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(1,1,2,2,2-pentafluoroethyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(1,1,2,2,2-pentafluoroethyl)benzene (CID 23235281) is 1,2,3,4,5-pentafluoro-6-(1,1,2,2,2-pentafluoroethyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(1,1,2,2,2-pentafluoroethyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(1,1,2,2,2-pentafluoroethyl)benzene is Fc1c(F)c(F)c(C(F)(F)C(F)(F)F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(1,1,2,2,2-pentafluoroethyl)benzene?
The InChIKey is BMFPHHLKGOOCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F10/c9-2-1(7(14,15)8(16,17)18)3(10)5(12)6(13)4(2)11.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(1,1,2,2,2-pentafluoroethyl)benzene?
1,2,3,4,5-pentafluoro-6-(1,1,2,2,2-pentafluoroethyl)benzene has a molecular weight of 286.07 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(1,1,2,2,2-pentafluoroethyl)benzene is sourced from PubChem (CID 23235281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).