1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene

C14H4F10 — CID 21113589

IUPAC1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene
SMILESCC(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H4F10/c1-2(3-5(15)9(19)13(23)10(20)6(3)16)4-7(17)11(21)14(24)12(22)8(4)18/h2H,1H3
InChIKeyKHMRPGHWEATIGZ-UHFFFAOYSA-N
MW362.17 g/mol
LogP5.23
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene

1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene (PubChem CID 21113589) has the molecular formula C14H4F10 and a molecular weight of 362.17 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene
PubChem CID21113589
Molecular FormulaC14H4F10
Molecular Weight362.17 g/mol
Exact Mass362.02
IUPAC Name1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene
SMILESCC(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H4F10/c1-2(3-5(15)9(19)13(23)10(20)6(3)16)4-7(17)11(21)14(24)12(22)8(4)18/h2H,1H3
InChIKeyKHMRPGHWEATIGZ-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.17
LogP ≤ 55.23
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene (CID 21113589) is 1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene is CC(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene?
The InChIKey is KHMRPGHWEATIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F10/c1-2(3-5(15)9(19)13(23)10(20)6(3)16)4-7(17)11(21)14(24)12(22)8(4)18/h2H,1H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene?
1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene has a molecular weight of 362.17 g/mol, XLogP of 5.23, 2 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-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene is sourced from PubChem (CID 21113589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).