3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid

C11H10ClFN4O2 — CID 81262400

IUPAC3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1nnnc1-c1cccc(Cl)c1F
InChIInChI=1S/C11H10ClFN4O2/c1-6(5-9(18)19)17-11(14-15-16-17)7-3-2-4-8(12)10(7)13/h2-4,6H,5H2,1H3,(H,18,19)
InChIKeyQEXGMCWYLQGSKK-UHFFFAOYSA-N
MW284.68 g/mol
LogP2.17
Rot. Bonds4

About 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid

3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid (PubChem CID 81262400) has the molecular formula C11H10ClFN4O2 and a molecular weight of 284.68 g/mol. Its IUPAC name is 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid
PubChem CID81262400
Molecular FormulaC11H10ClFN4O2
Molecular Weight284.68 g/mol
Exact Mass284.05
IUPAC Name3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1nnnc1-c1cccc(Cl)c1F
InChIInChI=1S/C11H10ClFN4O2/c1-6(5-9(18)19)17-11(14-15-16-17)7-3-2-4-8(12)10(7)13/h2-4,6H,5H2,1H3,(H,18,19)
InChIKeyQEXGMCWYLQGSKK-UHFFFAOYSA-N
XLogP2.17
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.68
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]propanoic acid
CID 81262161
3-[5-(2,3-dimethylphenyl)tetrazol-1-yl]butanoic acid
CID 66046972
3-[5-(2-methylsulfanylphenyl)tetrazol-1-yl]butanoic acid
CID 79206504
3-[5-[2-(trifluoromethyl)phenyl]tetrazol-1-yl]butanoic acid
CID 66041023
3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 81262480
3-[5-(5-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid
CID 66044111
3-(5-quinoxalin-5-yltetrazol-1-yl)butanoic acid
CID 104615854
3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 66041430
3-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66044352
2-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid
CID 81252312
3-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]butanoic acid
CID 66042627
3-[5-(1H-indazol-3-yl)tetrazol-1-yl]butanoic acid
CID 66043033

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid (CID 81262400) is 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid is CC(CC(=O)O)n1nnnc1-c1cccc(Cl)c1F.
What is the InChIKey of 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid?
The InChIKey is QEXGMCWYLQGSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O2/c1-6(5-9(18)19)17-11(14-15-16-17)7-3-2-4-8(12)10(7)13/h2-4,6H,5H2,1H3,(H,18,19).
What are the key properties of 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid?
3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid has a molecular weight of 284.68 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 81262400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).