1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene

C24H20F6 — CID 89129289

IUPAC1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
SMILESFC1=C(F)C(F)CC(C2=CC=C(C3=CC=C(C4=CC=CCC4F)CC3F)CC2F)=C1
InChIInChI=1S/C24H20F6/c25-19-4-2-1-3-16(19)13-5-7-17(20(26)9-13)14-6-8-18(21(27)10-14)15-11-22(28)24(30)23(29)12-15/h1-3,5-8,11,19-21,23H,4,9-10,12H2
InChIKeyAGUDCCYWLWNNCF-UHFFFAOYSA-N
MW422.41 g/mol
LogP7.22
Rot. Bonds3

About 1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene

1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene (PubChem CID 89129289) has the molecular formula C24H20F6 and a molecular weight of 422.41 g/mol. Its IUPAC name is 1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
PubChem CID89129289
Molecular FormulaC24H20F6
Molecular Weight422.41 g/mol
Exact Mass422.15
IUPAC Name1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
SMILESFC1=C(F)C(F)CC(C2=CC=C(C3=CC=C(C4=CC=CCC4F)CC3F)CC2F)=C1
InChIInChI=1S/C24H20F6/c25-19-4-2-1-3-16(19)13-5-7-17(20(26)9-13)14-6-8-18(21(27)10-14)15-11-22(28)24(30)23(29)12-15/h1-3,5-8,11,19-21,23H,4,9-10,12H2
InChIKeyAGUDCCYWLWNNCF-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
The IUPAC name of 1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene (CID 89129289) is 1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
The canonical SMILES for 1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene is FC1=C(F)C(F)CC(C2=CC=C(C3=CC=C(C4=CC=CCC4F)CC3F)CC2F)=C1.
What is the InChIKey of 1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
The InChIKey is AGUDCCYWLWNNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6/c25-19-4-2-1-3-16(19)13-5-7-17(20(26)9-13)14-6-8-18(21(27)10-14)15-11-22(28)24(30)23(29)12-15/h1-3,5-8,11,19-21,23H,4,9-10,12H2.
What are the key properties of 1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene has a molecular weight of 422.41 g/mol, XLogP of 7.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 89129289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).