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

C16H10F8 — CID 59263560

IUPAC1-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
InChIInChI=1S/C16H10F8/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/h3-4H2,1-2H3
InChIKeyWAIFSQTVZFVAHI-UHFFFAOYSA-N
MW354.24 g/mol
LogP5.59
Rot. Bonds3

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

1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene (PubChem CID 59263560) has the molecular formula C16H10F8 and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
PubChem CID59263560
Molecular FormulaC16H10F8
Molecular Weight354.24 g/mol
Exact Mass354.07
IUPAC Name1-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
InChIInChI=1S/C16H10F8/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/h3-4H2,1-2H3
InChIKeyWAIFSQTVZFVAHI-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 55.59
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-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene?
The IUPAC name of 1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene (CID 59263560) is 1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene.
What is the SMILES notation for 1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene?
The canonical SMILES for 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.
What is the InChIKey of 1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene?
The InChIKey is WAIFSQTVZFVAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F8/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/h3-4H2,1-2H3.
What are the key properties of 1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-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 354.24 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene is sourced from PubChem (CID 59263560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).