1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene

C12H4F8 — CID 71775255

IUPAC1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene
SMILESFC1=C(F)C(F)C(F)C(F)=C1c1ccc(F)c(F)c1F
InChIInChI=1S/C12H4F8/c13-4-2-1-3(6(14)7(4)15)5-8(16)10(18)12(20)11(19)9(5)17/h1-2,10,12H
InChIKeyWWWQVFBZASOBCJ-UHFFFAOYSA-N
MW300.15 g/mol
LogP4.62
Rot. Bonds1

About 1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene

1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene (PubChem CID 71775255) has the molecular formula C12H4F8 and a molecular weight of 300.15 g/mol. Its IUPAC name is 1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene
PubChem CID71775255
Molecular FormulaC12H4F8
Molecular Weight300.15 g/mol
Exact Mass300.02
IUPAC Name1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene
SMILESFC1=C(F)C(F)C(F)C(F)=C1c1ccc(F)c(F)c1F
InChIInChI=1S/C12H4F8/c13-4-2-1-3(6(14)7(4)15)5-8(16)10(18)12(20)11(19)9(5)17/h1-2,10,12H
InChIKeyWWWQVFBZASOBCJ-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene
CID 123622255
1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene
CID 164665926
3-fluoro-4-(2,3,4-trifluorophenyl)benzaldehyde
CID 81448027
1,2-bis(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4-trifluorophenyl)ethane-1,2-diol
CID 54536117
1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene
CID 90766512
4-(2,3,4-trifluorophenyl)aniline
CID 62965800
4,5-difluoro-2-benzofuran-1,3-dione
CID 15106096
3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one
CID 65174629
2-(2,3,4-trifluorophenyl)-1,3,5-triazine
CID 175245478
2-oxo-4-(2,3,4-trifluorophenyl)-1H-pyridine-3-carbonitrile
CID 82087328
1,2,3-trifluoro-4-(2-nitrophenyl)benzene
CID 141419715
1,2,3,4,5-pentafluoro-6-(2,3,4-trifluorophenyl)benzene;N-propylpropan-1-amine
CID 160588868

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene?
The IUPAC name of 1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene (CID 71775255) is 1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene?
The canonical SMILES for 1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene is FC1=C(F)C(F)C(F)C(F)=C1c1ccc(F)c(F)c1F.
What is the InChIKey of 1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene?
The InChIKey is WWWQVFBZASOBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F8/c13-4-2-1-3(6(14)7(4)15)5-8(16)10(18)12(20)11(19)9(5)17/h1-2,10,12H.
What are the key properties of 1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene?
1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene has a molecular weight of 300.15 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene is sourced from PubChem (CID 71775255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).