1,2,3,5,6-pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

C12H6F8 — CID 22005445

IUPAC1,2,3,5,6-pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESFC1=CC=C(C2=C(F)C(F)=C(F)C(F)C2F)C(F)C1F
InChIInChI=1S/C12H6F8/c13-4-2-1-3(6(14)7(4)15)5-8(16)10(18)12(20)11(19)9(5)17/h1-2,6-8,10H
InChIKeySKYYCMITNFEZNF-UHFFFAOYSA-N
MW302.16 g/mol
LogP4.52
Rot. Bonds1

About 1,2,3,5,6-pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

1,2,3,5,6-pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (PubChem CID 22005445) has the molecular formula C12H6F8 and a molecular weight of 302.16 g/mol. Its IUPAC name is 1,2,3,5,6-pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3,5,6-pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
PubChem CID22005445
Molecular FormulaC12H6F8
Molecular Weight302.16 g/mol
Exact Mass302.03
IUPAC Name1,2,3,5,6-pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESFC1=CC=C(C2=C(F)C(F)=C(F)C(F)C2F)C(F)C1F
InChIInChI=1S/C12H6F8/c13-4-2-1-3(6(14)7(4)15)5-8(16)10(18)12(20)11(19)9(5)17/h1-2,6-8,10H
InChIKeySKYYCMITNFEZNF-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6-pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The IUPAC name of 1,2,3,5,6-pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (CID 22005445) is 1,2,3,5,6-pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3,5,6-pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The canonical SMILES for 1,2,3,5,6-pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is FC1=CC=C(C2=C(F)C(F)=C(F)C(F)C2F)C(F)C1F.
What is the InChIKey of 1,2,3,5,6-pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The InChIKey is SKYYCMITNFEZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F8/c13-4-2-1-3(6(14)7(4)15)5-8(16)10(18)12(20)11(19)9(5)17/h1-2,6-8,10H.
What are the key properties of 1,2,3,5,6-pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
1,2,3,5,6-pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene has a molecular weight of 302.16 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6-pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 22005445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).