1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole

C11H11BrClFN4 — CID 107613009

IUPAC1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole
SMILESCC(C)(C)c1nnnn1-c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C11H11BrClFN4/c1-11(2,3)10-15-16-17-18(10)9-7(12)4-6(14)5-8(9)13/h4-5H,1-3H3
InChIKeyBZJVVWPOJFLMQB-UHFFFAOYSA-N
MW333.59 g/mol
LogP3.51
Rot. Bonds1

About 1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole

1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole (PubChem CID 107613009) has the molecular formula C11H11BrClFN4 and a molecular weight of 333.59 g/mol. Its IUPAC name is 1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole.

Molecular Properties

Compound Name1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole
PubChem CID107613009
Molecular FormulaC11H11BrClFN4
Molecular Weight333.59 g/mol
Exact Mass331.98
IUPAC Name1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole
SMILESCC(C)(C)c1nnnn1-c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C11H11BrClFN4/c1-11(2,3)10-15-16-17-18(10)9-7(12)4-6(14)5-8(9)13/h4-5H,1-3H3
InChIKeyBZJVVWPOJFLMQB-UHFFFAOYSA-N
XLogP3.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.59
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-4,6-difluorophenyl)-3-tert-butyl-5-chloro-1,2,4-triazole
CID 63385281
5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole
CID 57289897
N-[[1-(2-bromo-6-chloro-4-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107617556
1-(2-chloro-4,6-difluorophenyl)tetrazol-5-amine
CID 83083270
1-[1-(2-bromo-6-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-N-ethylethanamine
CID 107615515
1-(2-chloro-4,6-difluorophenyl)-5-(1-chloroethyl)tetrazole
CID 103084640
1-(2-bromo-6-chloro-4-fluorophenyl)pyrrolidine
CID 84714851
1-(2-bromo-6-chloro-4-fluorophenyl)-4-(1-bromopropyl)triazole
CID 107616953
1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086766
(2-bromo-6-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane
CID 167721480
4-(5-tert-butyltetrazol-1-yl)-2-chlorobenzoic acid
CID 62075853
1-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid
CID 107615440

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole?
The IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole (CID 107613009) is 1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole.
What is the SMILES notation for 1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole?
The canonical SMILES for 1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole is CC(C)(C)c1nnnn1-c1c(Cl)cc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole?
The InChIKey is BZJVVWPOJFLMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFN4/c1-11(2,3)10-15-16-17-18(10)9-7(12)4-6(14)5-8(9)13/h4-5H,1-3H3.
What are the key properties of 1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole?
1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole has a molecular weight of 333.59 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chloro-4-fluorophenyl)-5-tert-butyltetrazole is sourced from PubChem (CID 107613009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).