1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole

C9H8BrFN4 — CID 65431446

IUPAC1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole
SMILESCCc1nnnn1-c1ccc(Br)c(F)c1
InChIInChI=1S/C9H8BrFN4/c1-2-9-12-13-14-15(9)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3
InChIKeyVVDFJJMSECGZKN-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.13
Rot. Bonds2

About 1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole

1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole (PubChem CID 65431446) has the molecular formula C9H8BrFN4 and a molecular weight of 271.09 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole
PubChem CID65431446
Molecular FormulaC9H8BrFN4
Molecular Weight271.09 g/mol
Exact Mass269.99
IUPAC Name1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole
SMILESCCc1nnnn1-c1ccc(Br)c(F)c1
InChIInChI=1S/C9H8BrFN4/c1-2-9-12-13-14-15(9)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3
InChIKeyVVDFJJMSECGZKN-UHFFFAOYSA-N
XLogP2.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-fluorophenyl)-5-(chloromethyl)tetrazole
CID 104780089
2-bromo-5-(5-propyltetrazol-1-yl)aniline
CID 79768330
4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline
CID 43617261
3-bromo-5-(5-ethyltetrazol-1-yl)pyridine
CID 130487263
1-(3-bromo-5-methylphenyl)-5-ethyltetrazole
CID 107584067
3-(5-ethyltetrazol-1-yl)aniline
CID 43424026
2-[1-(4-bromo-3-fluorophenyl)tetrazol-5-yl]-3-methylaniline
CID 65436222
2-[1-(4-bromo-3-fluorophenyl)tetrazol-5-yl]-4-chloroaniline
CID 65436622
1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 113399822
3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine
CID 82228118
2-[[4-(4-bromo-3-fluorophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 65436581
4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid
CID 107209131

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole (CID 65431446) is 1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole is CCc1nnnn1-c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole?
The InChIKey is VVDFJJMSECGZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN4/c1-2-9-12-13-14-15(9)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole?
1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole has a molecular weight of 271.09 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole is sourced from PubChem (CID 65431446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).