2-bromo-1,3,5-tritert-butyl-4-fluorobenzene

C18H28BrF — CID 71355768

IUPAC2-bromo-1,3,5-tritert-butyl-4-fluorobenzene
SMILESCC(C)(C)c1cc(C(C)(C)C)c(Br)c(C(C)(C)C)c1F
InChIInChI=1S/C18H28BrF/c1-16(2,3)11-10-12(17(4,5)6)15(20)13(14(11)19)18(7,8)9/h10H,1-9H3
InChIKeyORYMDZYSJWUFLT-UHFFFAOYSA-N
MW343.32 g/mol
LogP6.48
Rot. Bonds

About 2-bromo-1,3,5-tritert-butyl-4-fluorobenzene

2-bromo-1,3,5-tritert-butyl-4-fluorobenzene (PubChem CID 71355768) has the molecular formula C18H28BrF and a molecular weight of 343.32 g/mol. Its IUPAC name is 2-bromo-1,3,5-tritert-butyl-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1,3,5-tritert-butyl-4-fluorobenzene
PubChem CID71355768
Molecular FormulaC18H28BrF
Molecular Weight343.32 g/mol
Exact Mass342.14
IUPAC Name2-bromo-1,3,5-tritert-butyl-4-fluorobenzene
SMILESCC(C)(C)c1cc(C(C)(C)C)c(Br)c(C(C)(C)C)c1F
InChIInChI=1S/C18H28BrF/c1-16(2,3)11-10-12(17(4,5)6)15(20)13(14(11)19)18(7,8)9/h10H,1-9H3
InChIKeyORYMDZYSJWUFLT-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.32
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-bromo-5-tert-butyl-4-fluoro-2-methylpyridine
CID 153306775
1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene
CID 157157591
1,3-ditert-butyl-2-fluoro-5-iodobenzene
CID 90150782
1-bromo-5-tert-butyl-2,4-difluorobenzene
CID 153434868
2-bromo-6-tert-butyl-3-fluoro-4-methoxyaniline
CID 150216828
1,4-dibromo-2,5-ditert-butyl-3-nitrobenzene
CID 134935929
(3,5-ditert-butyl-4-fluorophenyl)boronic acid
CID 70872894
3,5-ditert-butyl-4-fluorobenzoic acid
CID 22925597
1,5-ditert-butyl-3-chloro-2-fluorobenzene
CID 140644518
1,2,3,5-tetratert-butylbenzene
CID 18679123
3-bromo-4-tert-butyl-6-fluoropyridine-2-carboxylic acid
CID 89499079
4-bromo-3-tert-butyl-5-fluoropyridine
CID 146377302

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3,5-tritert-butyl-4-fluorobenzene?
The IUPAC name of 2-bromo-1,3,5-tritert-butyl-4-fluorobenzene (CID 71355768) is 2-bromo-1,3,5-tritert-butyl-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1,3,5-tritert-butyl-4-fluorobenzene?
The canonical SMILES for 2-bromo-1,3,5-tritert-butyl-4-fluorobenzene is CC(C)(C)c1cc(C(C)(C)C)c(Br)c(C(C)(C)C)c1F.
What is the InChIKey of 2-bromo-1,3,5-tritert-butyl-4-fluorobenzene?
The InChIKey is ORYMDZYSJWUFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrF/c1-16(2,3)11-10-12(17(4,5)6)15(20)13(14(11)19)18(7,8)9/h10H,1-9H3.
What are the key properties of 2-bromo-1,3,5-tritert-butyl-4-fluorobenzene?
2-bromo-1,3,5-tritert-butyl-4-fluorobenzene has a molecular weight of 343.32 g/mol, XLogP of 6.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3,5-tritert-butyl-4-fluorobenzene is sourced from PubChem (CID 71355768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).