1-bromo-2-tert-butyl-3-chloro-5-fluorobenzene

C10H11BrClF — CID 59956371

IUPAC1-bromo-2-tert-butyl-3-chloro-5-fluorobenzene
SMILESCC(C)(C)c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H11BrClF/c1-10(2,3)9-7(11)4-6(13)5-8(9)12/h4-5H,1-3H3
InChIKeyCOYCIMMZWIEESA-UHFFFAOYSA-N
MW265.55 g/mol
LogP4.54
Rot. Bonds

About 1-bromo-2-tert-butyl-3-chloro-5-fluorobenzene

1-bromo-2-tert-butyl-3-chloro-5-fluorobenzene (PubChem CID 59956371) has the molecular formula C10H11BrClF and a molecular weight of 265.55 g/mol. Its IUPAC name is 1-bromo-2-tert-butyl-3-chloro-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-tert-butyl-3-chloro-5-fluorobenzene
PubChem CID59956371
Molecular FormulaC10H11BrClF
Molecular Weight265.55 g/mol
Exact Mass263.97
IUPAC Name1-bromo-2-tert-butyl-3-chloro-5-fluorobenzene
SMILESCC(C)(C)c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H11BrClF/c1-10(2,3)9-7(11)4-6(13)5-8(9)12/h4-5H,1-3H3
InChIKeyCOYCIMMZWIEESA-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.55
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-tert-butyl-3-chloro-5-fluorobenzene?
The IUPAC name of 1-bromo-2-tert-butyl-3-chloro-5-fluorobenzene (CID 59956371) is 1-bromo-2-tert-butyl-3-chloro-5-fluorobenzene.
What is the SMILES notation for 1-bromo-2-tert-butyl-3-chloro-5-fluorobenzene?
The canonical SMILES for 1-bromo-2-tert-butyl-3-chloro-5-fluorobenzene is CC(C)(C)c1c(Cl)cc(F)cc1Br.
What is the InChIKey of 1-bromo-2-tert-butyl-3-chloro-5-fluorobenzene?
The InChIKey is COYCIMMZWIEESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClF/c1-10(2,3)9-7(11)4-6(13)5-8(9)12/h4-5H,1-3H3.
What are the key properties of 1-bromo-2-tert-butyl-3-chloro-5-fluorobenzene?
1-bromo-2-tert-butyl-3-chloro-5-fluorobenzene has a molecular weight of 265.55 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-tert-butyl-3-chloro-5-fluorobenzene is sourced from PubChem (CID 59956371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).