5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene

C20H22F4 — CID 177477426

IUPAC5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene
SMILESCC(C)(C)c1cc(F)c(-c2c(F)cc(C(C)(C)C)cc2F)c(F)c1
InChIInChI=1S/C20H22F4/c1-19(2,3)11-7-13(21)17(14(22)8-11)18-15(23)9-12(10-16(18)24)20(4,5)6/h7-10H,1-6H3
InChIKeyBKHYDBFHXTUZDC-UHFFFAOYSA-N
MW338.39 g/mol
LogP6.51
Rot. Bonds1

About 5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene

5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene (PubChem CID 177477426) has the molecular formula C20H22F4 and a molecular weight of 338.39 g/mol. Its IUPAC name is 5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene.

Molecular Properties

Compound Name5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene
PubChem CID177477426
Molecular FormulaC20H22F4
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene
SMILESCC(C)(C)c1cc(F)c(-c2c(F)cc(C(C)(C)C)cc2F)c(F)c1
InChIInChI=1S/C20H22F4/c1-19(2,3)11-7-13(21)17(14(22)8-11)18-15(23)9-12(10-16(18)24)20(4,5)6/h7-10H,1-6H3
InChIKeyBKHYDBFHXTUZDC-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.39
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-tert-butyl-4-fluoro-2-benzofuran-1,3-dione
CID 122488293
1-bromo-5-tert-butyl-2,3-difluorobenzene
CID 139993631
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
(3S)-2,5-ditert-butyl-7-fluoro-3-hydroxy-3H-isoindol-1-one
CID 124638333
4-tert-butyl-2-fluorophenol
CID 11062790
4-tert-butyl-2-fluoroaniline
CID 10464690
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024
1-tert-butyl-3,5-dichlorobenzene
CID 23557572
(E)-1-(4-tert-butyl-2,6-difluorophenyl)-N-methoxymethanimine
CID 88954266
1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
1-(4-tert-butyl-2,6-difluorophenyl)piperazine
CID 164933901
4-(4-tert-butyl-2,6-difluorophenyl)piperidine
CID 121475944

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene?
The IUPAC name of 5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene (CID 177477426) is 5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene.
What is the SMILES notation for 5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene?
The canonical SMILES for 5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene is CC(C)(C)c1cc(F)c(-c2c(F)cc(C(C)(C)C)cc2F)c(F)c1.
What is the InChIKey of 5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene?
The InChIKey is BKHYDBFHXTUZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4/c1-19(2,3)11-7-13(21)17(14(22)8-11)18-15(23)9-12(10-16(18)24)20(4,5)6/h7-10H,1-6H3.
What are the key properties of 5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene?
5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene has a molecular weight of 338.39 g/mol, XLogP of 6.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene is sourced from PubChem (CID 177477426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).