3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid

C12H13FN4O2 — CID 113308371

IUPAC3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cn1nnnc1-c1cccc(F)c1)C(=O)O
InChIInChI=1S/C12H13FN4O2/c1-12(2,11(18)19)7-17-10(14-15-16-17)8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyPMCKQATUULMVBA-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.59
Rot. Bonds4

About 3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid

3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid (PubChem CID 113308371) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
PubChem CID113308371
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cn1nnnc1-c1cccc(F)c1)C(=O)O
InChIInChI=1S/C12H13FN4O2/c1-12(2,11(18)19)7-17-10(14-15-16-17)8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyPMCKQATUULMVBA-UHFFFAOYSA-N
XLogP1.59
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic 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

3-[5-(2,4-difluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 115429102
3-[5-(3,4-dimethylphenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 115429233
2-ethyl-2-[5-(3-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 79809118
3-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 102885720
3-[5-(2,4-dibromophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 107942147
3-[5-(1-benzofuran-2-yl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 115429084
3-[5-(3-bromo-2-pyridinyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 107526435
2,2-dimethyl-3-[5-(1-methyltriazol-4-yl)tetrazol-1-yl]propanoic acid
CID 112735739
3-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 115429183
3-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 115429274
2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid
CID 106754447
2-[5-[3-(2,2,4,4-tetramethylpentan-3-yloxy)phenyl]tetrazol-1-yl]acetic acid
CID 139800095

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid (CID 113308371) is 3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid is CC(C)(Cn1nnnc1-c1cccc(F)c1)C(=O)O.
What is the InChIKey of 3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid?
The InChIKey is PMCKQATUULMVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-12(2,11(18)19)7-17-10(14-15-16-17)8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H,18,19).
What are the key properties of 3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid?
3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid has a molecular weight of 264.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 113308371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).