1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene

C31H20F12 — CID 146564682

IUPAC1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene
SMILESCc1c(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(F)c3F)c2)c(F)c1F
InChIInChI=1S/C31H20F12/c1-9(2)15-22(34)28(40)18(29(41)23(15)35)13-6-12(17-26(38)20(32)11(5)21(33)27(17)39)7-14(8-13)19-30(42)24(36)16(10(3)4)25(37)31(19)43/h6-10H,1-5H3
InChIKeyKRSJPTMKKWUMHR-UHFFFAOYSA-N
MW620.48 g/mol
LogP10.91
Rot. Bonds5

About 1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene

1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene (PubChem CID 146564682) has the molecular formula C31H20F12 and a molecular weight of 620.48 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene
PubChem CID146564682
Molecular FormulaC31H20F12
Molecular Weight620.48 g/mol
Exact Mass620.14
IUPAC Name1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene
SMILESCc1c(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(F)c3F)c2)c(F)c1F
InChIInChI=1S/C31H20F12/c1-9(2)15-22(34)28(40)18(29(41)23(15)35)13-6-12(17-26(38)20(32)11(5)21(33)27(17)39)7-14(8-13)19-30(42)24(36)16(10(3)4)25(37)31(19)43/h6-10H,1-5H3
InChIKeyKRSJPTMKKWUMHR-UHFFFAOYSA-N
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.48
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene 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 1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene (CID 146564682) is 1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene is Cc1c(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(F)c3F)c2)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene?
The InChIKey is KRSJPTMKKWUMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20F12/c1-9(2)15-22(34)28(40)18(29(41)23(15)35)13-6-12(17-26(38)20(32)11(5)21(33)27(17)39)7-14(8-13)19-30(42)24(36)16(10(3)4)25(37)31(19)43/h6-10H,1-5H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene?
1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene has a molecular weight of 620.48 g/mol, XLogP of 10.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene is sourced from PubChem (CID 146564682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).