2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole

C15H12BrFN4O — CID 7465856

IUPAC2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-c2nnn(CCOc3cccc(Br)c3)n2)cc1
InChIInChI=1S/C15H12BrFN4O/c16-12-2-1-3-14(10-12)22-9-8-21-19-15(18-20-21)11-4-6-13(17)7-5-11/h1-7,10H,8-9H2
InChIKeyICMGFGUDIREWNY-UHFFFAOYSA-N
MW363.19 g/mol
LogP3.32
Rot. Bonds5

About 2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole

2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole (PubChem CID 7465856) has the molecular formula C15H12BrFN4O and a molecular weight of 363.19 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole
PubChem CID7465856
Molecular FormulaC15H12BrFN4O
Molecular Weight363.19 g/mol
Exact Mass362.02
IUPAC Name2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-c2nnn(CCOc3cccc(Br)c3)n2)cc1
InChIInChI=1S/C15H12BrFN4O/c16-12-2-1-3-14(10-12)22-9-8-21-19-15(18-20-21)11-4-6-13(17)7-5-11/h1-7,10H,8-9H2
InChIKeyICMGFGUDIREWNY-UHFFFAOYSA-N
XLogP3.32
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole
CID 55426091
2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole
CID 112769919
5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole
CID 9397244
4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
CID 552573
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043
5-[(3-bromophenoxy)methyl]-2-methyltetrazole
CID 107043105
4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine
CID 655055
N-[(Z)-(3-bromophenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 6032432
5-[3-[(3-bromophenoxy)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326225
2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole
CID 2526533
N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide
CID 24557123
1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione
CID 82124588

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole?
The IUPAC name of 2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole (CID 7465856) is 2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole is Fc1ccc(-c2nnn(CCOc3cccc(Br)c3)n2)cc1.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole?
The InChIKey is ICMGFGUDIREWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN4O/c16-12-2-1-3-14(10-12)22-9-8-21-19-15(18-20-21)11-4-6-13(17)7-5-11/h1-7,10H,8-9H2.
What are the key properties of 2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole?
2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole has a molecular weight of 363.19 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole is sourced from PubChem (CID 7465856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).