2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid

C11H11FN4O2 — CID 66040798

IUPAC2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1ccccc1F
InChIInChI=1S/C11H11FN4O2/c1-11(2,10(17)18)16-9(13-14-15-16)7-5-3-4-6-8(7)12/h3-6H,1-2H3,(H,17,18)
InChIKeyUPFOYHYUZGTONF-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.30
Rot. Bonds3

About 2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid

2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid (PubChem CID 66040798) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
PubChem CID66040798
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1ccccc1F
InChIInChI=1S/C11H11FN4O2/c1-11(2,10(17)18)16-9(13-14-15-16)7-5-3-4-6-8(7)12/h3-6H,1-2H3,(H,17,18)
InChIKeyUPFOYHYUZGTONF-UHFFFAOYSA-N
XLogP1.30
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 81461945
2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040602
2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66041203
2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid
CID 15007312
2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 102885707
2-[5-(3-chloro-2-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 107101228
2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 82818547
2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid
CID 103123559
2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66043608
2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid
CID 66041204
2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid
CID 103123561
2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid
CID 79813162

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid (CID 66040798) is 2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)n1nnnc1-c1ccccc1F.
What is the InChIKey of 2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is UPFOYHYUZGTONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-11(2,10(17)18)16-9(13-14-15-16)7-5-3-4-6-8(7)12/h3-6H,1-2H3,(H,17,18).
What are the key properties of 2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid?
2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 250.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 66040798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).