1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene

C24F18 — CID 15490453

IUPAC1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
SMILESFc1c(F)c(F)c(-c2c(F)c(-c3c(F)c(F)c(F)c(F)c3F)c(F)c(-c3c(F)c(F)c(F)c(F)c3F)c2F)c(F)c1F
InChIInChI=1S/C24F18/c25-7-1(4-10(28)16(34)22(40)17(35)11(4)29)8(26)3(6-14(32)20(38)24(42)21(39)15(6)33)9(27)2(7)5-12(30)18(36)23(41)19(37)13(5)31
InChIKeyUVJSKKCWUVDYOA-UHFFFAOYSA-N
MW630.23 g/mol
LogP9.19
Rot. Bonds3

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

1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene (PubChem CID 15490453) has the molecular formula C24F18 and a molecular weight of 630.23 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
PubChem CID15490453
Molecular FormulaC24F18
Molecular Weight630.23 g/mol
Exact Mass629.97
IUPAC Name1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
SMILESFc1c(F)c(F)c(-c2c(F)c(-c3c(F)c(F)c(F)c(F)c3F)c(F)c(-c3c(F)c(F)c(F)c(F)c3F)c2F)c(F)c1F
InChIInChI=1S/C24F18/c25-7-1(4-10(28)16(34)22(40)17(35)11(4)29)8(26)3(6-14(32)20(38)24(42)21(39)15(6)33)9(27)2(7)5-12(30)18(36)23(41)19(37)13(5)31
InChIKeyUVJSKKCWUVDYOA-UHFFFAOYSA-N
XLogP9.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.23
LogP ≤ 59.19
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-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene (CID 15490453) is 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene is Fc1c(F)c(F)c(-c2c(F)c(-c3c(F)c(F)c(F)c(F)c3F)c(F)c(-c3c(F)c(F)c(F)c(F)c3F)c2F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene?
The InChIKey is UVJSKKCWUVDYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24F18/c25-7-1(4-10(28)16(34)22(40)17(35)11(4)29)8(26)3(6-14(32)20(38)24(42)21(39)15(6)33)9(27)2(7)5-12(30)18(36)23(41)19(37)13(5)31.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene?
1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene has a molecular weight of 630.23 g/mol, XLogP of 9.19, 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-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene is sourced from PubChem (CID 15490453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).