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

C20H4F14 — CID 23271920

IUPAC1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]benzene
SMILESCc1c(F)c(F)c(C(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C20H4F14/c1-2-7(21)9(23)4(10(24)8(2)22)3(5-11(25)15(29)19(33)16(30)12(5)26)6-13(27)17(31)20(34)18(32)14(6)28/h3H,1H3
InChIKeyXHUSLGUVUWEPDT-UHFFFAOYSA-N
MW510.22 g/mol
LogP7.12
Rot. Bonds3

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

1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]benzene (PubChem CID 23271920) has the molecular formula C20H4F14 and a molecular weight of 510.22 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]benzene
PubChem CID23271920
Molecular FormulaC20H4F14
Molecular Weight510.22 g/mol
Exact Mass510.01
IUPAC Name1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]benzene
SMILESCc1c(F)c(F)c(C(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C20H4F14/c1-2-7(21)9(23)4(10(24)8(2)22)3(5-11(25)15(29)19(33)16(30)12(5)26)6-13(27)17(31)20(34)18(32)14(6)28/h3H,1H3
InChIKeyXHUSLGUVUWEPDT-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.22
LogP ≤ 57.12
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': 'triphenyl_methyl-silyl', '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)-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]benzene (CID 23271920) is 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]benzene is Cc1c(F)c(F)c(C(c2c(F)c(F)c(F)c(F)c2F)c2c(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)-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]benzene?
The InChIKey is XHUSLGUVUWEPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H4F14/c1-2-7(21)9(23)4(10(24)8(2)22)3(5-11(25)15(29)19(33)16(30)12(5)26)6-13(27)17(31)20(34)18(32)14(6)28/h3H,1H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]benzene?
1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]benzene has a molecular weight of 510.22 g/mol, XLogP of 7.12, 3 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)-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]benzene is sourced from PubChem (CID 23271920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).