1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene

C34H26F12 — CID 155371318

IUPAC1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene
SMILESCC(C)c1c(F)c(F)c(-c2cc(-c3c(F)c(F)c(C(C)C)c(F)c3F)cc(-c3c(F)c(F)c(C(C)(C)C)c(F)c3F)c2)c(F)c1F
InChIInChI=1S/C34H26F12/c1-11(2)16-22(35)26(39)18(27(40)23(16)36)13-8-14(19-28(41)24(37)17(12(3)4)25(38)29(19)42)10-15(9-13)20-30(43)32(45)21(34(5,6)7)33(46)31(20)44/h8-12H,1-7H3
InChIKeyZWOSKXVOUHTRON-UHFFFAOYSA-N
MW662.56 g/mol
LogP11.90
Rot. Bonds5

About 1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene

1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene (PubChem CID 155371318) has the molecular formula C34H26F12 and a molecular weight of 662.56 g/mol. Its IUPAC name is 1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene
PubChem CID155371318
Molecular FormulaC34H26F12
Molecular Weight662.56 g/mol
Exact Mass662.18
IUPAC Name1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene
SMILESCC(C)c1c(F)c(F)c(-c2cc(-c3c(F)c(F)c(C(C)C)c(F)c3F)cc(-c3c(F)c(F)c(C(C)(C)C)c(F)c3F)c2)c(F)c1F
InChIInChI=1S/C34H26F12/c1-11(2)16-22(35)26(39)18(27(40)23(16)36)13-8-14(19-28(41)24(37)17(12(3)4)25(38)29(19)42)10-15(9-13)20-30(43)32(45)21(34(5,6)7)33(46)31(20)44/h8-12H,1-7H3
InChIKeyZWOSKXVOUHTRON-UHFFFAOYSA-N
XLogP11.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.56
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene?
The IUPAC name of 1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene (CID 155371318) is 1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene.
What is the SMILES notation for 1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene?
The canonical SMILES for 1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene is CC(C)c1c(F)c(F)c(-c2cc(-c3c(F)c(F)c(C(C)C)c(F)c3F)cc(-c3c(F)c(F)c(C(C)(C)C)c(F)c3F)c2)c(F)c1F.
What is the InChIKey of 1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene?
The InChIKey is ZWOSKXVOUHTRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26F12/c1-11(2)16-22(35)26(39)18(27(40)23(16)36)13-8-14(19-28(41)24(37)17(12(3)4)25(38)29(19)42)10-15(9-13)20-30(43)32(45)21(34(5,6)7)33(46)31(20)44/h8-12H,1-7H3.
What are the key properties of 1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene?
1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene has a molecular weight of 662.56 g/mol, XLogP of 11.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene is sourced from PubChem (CID 155371318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).