1-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene

C13F12 — CID 5177223

IUPAC1-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C(F)(F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C13F12/c14-3-1(4(15)8(19)11(22)7(3)18)13(24,25)2-5(16)9(20)12(23)10(21)6(2)17
InChIKeyIHKQBQOJQGQFLU-UHFFFAOYSA-N
MW384.12 g/mol
LogP5.22
Rot. Bonds2

About 1-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene

1-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene (PubChem CID 5177223) has the molecular formula C13F12 and a molecular weight of 384.12 g/mol. Its IUPAC name is 1-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene
PubChem CID5177223
Molecular FormulaC13F12
Molecular Weight384.12 g/mol
Exact Mass383.98
IUPAC Name1-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C(F)(F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C13F12/c14-3-1(4(15)8(19)11(22)7(3)18)13(24,25)2-5(16)9(20)12(23)10(21)6(2)17
InChIKeyIHKQBQOJQGQFLU-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.12
LogP ≤ 55.22
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-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene (CID 5177223) is 1-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(C(F)(F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene?
The InChIKey is IHKQBQOJQGQFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F12/c14-3-1(4(15)8(19)11(22)7(3)18)13(24,25)2-5(16)9(20)12(23)10(21)6(2)17.
What are the key properties of 1-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene?
1-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene has a molecular weight of 384.12 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 5177223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).