1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene

C26H20F12 — CID 162052100

IUPAC1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
SMILESCCc1c(F)c(F)c(-c2c(F)c(F)c(CC)c(F)c2F)c(F)c1F.CCc1c(F)c(F)c(CC)c(F)c1F
InChIInChI=1S/C16H10F8.C10H10F4/c1-3-5-9(17)13(21)7(14(22)10(5)18)8-15(23)11(19)6(4-2)12(20)16(8)24;1-3-5-7(11)9(13)6(4-2)10(14)8(5)12/h3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyYYRHJSVGAUCDMI-UHFFFAOYSA-N
MW560.42 g/mol
LogP8.96
Rot. Bonds5

About 1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene

1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene (PubChem CID 162052100) has the molecular formula C26H20F12 and a molecular weight of 560.42 g/mol. Its IUPAC name is 1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
PubChem CID162052100
Molecular FormulaC26H20F12
Molecular Weight560.42 g/mol
Exact Mass560.14
IUPAC Name1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
SMILESCCc1c(F)c(F)c(-c2c(F)c(F)c(CC)c(F)c2F)c(F)c1F.CCc1c(F)c(F)c(CC)c(F)c1F
InChIInChI=1S/C16H10F8.C10H10F4/c1-3-5-9(17)13(21)7(14(22)10(5)18)8-15(23)11(19)6(4-2)12(20)16(8)24;1-3-5-7(11)9(13)6(4-2)10(14)8(5)12/h3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyYYRHJSVGAUCDMI-UHFFFAOYSA-N
XLogP8.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.42
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene?
The IUPAC name of 1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene (CID 162052100) is 1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene.
What is the SMILES notation for 1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene?
The canonical SMILES for 1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene is CCc1c(F)c(F)c(-c2c(F)c(F)c(CC)c(F)c2F)c(F)c1F.CCc1c(F)c(F)c(CC)c(F)c1F.
What is the InChIKey of 1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene?
The InChIKey is YYRHJSVGAUCDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F8.C10H10F4/c1-3-5-9(17)13(21)7(14(22)10(5)18)8-15(23)11(19)6(4-2)12(20)16(8)24;1-3-5-7(11)9(13)6(4-2)10(14)8(5)12/h3-4H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene?
1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene has a molecular weight of 560.42 g/mol, XLogP of 8.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene is sourced from PubChem (CID 162052100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).