1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene

C14H18F4 — CID 5202429

IUPAC1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene
SMILESCC(C)(C)c1c(F)c(F)c(C(C)(C)C)c(F)c1F
InChIInChI=1S/C14H18F4/c1-13(2,3)7-9(15)11(17)8(14(4,5)6)12(18)10(7)16/h1-6H3
InChIKeySOUQAPNRIRYTOB-UHFFFAOYSA-N
MW262.29 g/mol
LogP4.84
Rot. Bonds

About 1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene

1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene (PubChem CID 5202429) has the molecular formula C14H18F4 and a molecular weight of 262.29 g/mol. Its IUPAC name is 1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene
PubChem CID5202429
Molecular FormulaC14H18F4
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene
SMILESCC(C)(C)c1c(F)c(F)c(C(C)(C)C)c(F)c1F
InChIInChI=1S/C14H18F4/c1-13(2,3)7-9(15)11(17)8(14(4,5)6)12(18)10(7)16/h1-6H3
InChIKeySOUQAPNRIRYTOB-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 54.84
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-ditert-butyl-2,3,5,6-tetrafluorobenzene?
The IUPAC name of 1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene (CID 5202429) is 1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene.
What is the SMILES notation for 1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene?
The canonical SMILES for 1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene is CC(C)(C)c1c(F)c(F)c(C(C)(C)C)c(F)c1F.
What is the InChIKey of 1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene?
The InChIKey is SOUQAPNRIRYTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4/c1-13(2,3)7-9(15)11(17)8(14(4,5)6)12(18)10(7)16/h1-6H3.
What are the key properties of 1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene?
1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene has a molecular weight of 262.29 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene is sourced from PubChem (CID 5202429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).