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

C13H2F10 — CID 602634

IUPAC1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methyl]benzene
SMILESFc1c(F)c(F)c(Cc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C13H2F10/c14-4-2(5(15)9(19)12(22)8(4)18)1-3-6(16)10(20)13(23)11(21)7(3)17/h1H2
InChIKeyBSSLTVJMUSSXTH-UHFFFAOYSA-N
MW348.14 g/mol
LogP4.67
Rot. Bonds2

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

1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methyl]benzene (PubChem CID 602634) has the molecular formula C13H2F10 and a molecular weight of 348.14 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methyl]benzene
PubChem CID602634
Molecular FormulaC13H2F10
Molecular Weight348.14 g/mol
Exact Mass348.00
IUPAC Name1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methyl]benzene
SMILESFc1c(F)c(F)c(Cc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C13H2F10/c14-4-2(5(15)9(19)12(22)8(4)18)1-3-6(16)10(20)13(23)11(21)7(3)17/h1H2
InChIKeyBSSLTVJMUSSXTH-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 54.67
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-[(2,3,4,5,6-pentafluorophenyl)methyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methyl]benzene (CID 602634) is 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methyl]benzene is Fc1c(F)c(F)c(Cc2c(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-pentafluorophenyl)methyl]benzene?
The InChIKey is BSSLTVJMUSSXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H2F10/c14-4-2(5(15)9(19)12(22)8(4)18)1-3-6(16)10(20)13(23)11(21)7(3)17/h1H2.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methyl]benzene?
1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methyl]benzene has a molecular weight of 348.14 g/mol, XLogP of 4.67, 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-[(2,3,4,5,6-pentafluorophenyl)methyl]benzene is sourced from PubChem (CID 602634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).