1-(2-fluoro-2-methylpropyl)tetrazole-5-carboxylic acid

C6H9FN4O2 — CID 84661283

IUPAC1-(2-fluoro-2-methylpropyl)tetrazole-5-carboxylic acid
SMILESCC(C)(F)Cn1nnnc1C(=O)O
InChIInChI=1S/C6H9FN4O2/c1-6(2,7)3-11-4(5(12)13)8-9-10-11/h3H2,1-2H3,(H,12,13)
InChIKeyJINQFQJEUVCBJM-UHFFFAOYSA-N
MW188.16 g/mol
LogP0.12
Rot. Bonds3

About 1-(2-fluoro-2-methylpropyl)tetrazole-5-carboxylic acid

1-(2-fluoro-2-methylpropyl)tetrazole-5-carboxylic acid (PubChem CID 84661283) has the molecular formula C6H9FN4O2 and a molecular weight of 188.16 g/mol. Its IUPAC name is 1-(2-fluoro-2-methylpropyl)tetrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-2-methylpropyl)tetrazole-5-carboxylic acid
PubChem CID84661283
Molecular FormulaC6H9FN4O2
Molecular Weight188.16 g/mol
Exact Mass188.07
IUPAC Name1-(2-fluoro-2-methylpropyl)tetrazole-5-carboxylic acid
SMILESCC(C)(F)Cn1nnnc1C(=O)O
InChIInChI=1S/C6H9FN4O2/c1-6(2,7)3-11-4(5(12)13)8-9-10-11/h3H2,1-2H3,(H,12,13)
InChIKeyJINQFQJEUVCBJM-UHFFFAOYSA-N
XLogP0.12
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-2-methylpropyl)tetrazole-5-carboxylic acid?
The IUPAC name of 1-(2-fluoro-2-methylpropyl)tetrazole-5-carboxylic acid (CID 84661283) is 1-(2-fluoro-2-methylpropyl)tetrazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-2-methylpropyl)tetrazole-5-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-2-methylpropyl)tetrazole-5-carboxylic acid is CC(C)(F)Cn1nnnc1C(=O)O.
What is the InChIKey of 1-(2-fluoro-2-methylpropyl)tetrazole-5-carboxylic acid?
The InChIKey is JINQFQJEUVCBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O2/c1-6(2,7)3-11-4(5(12)13)8-9-10-11/h3H2,1-2H3,(H,12,13).
What are the key properties of 1-(2-fluoro-2-methylpropyl)tetrazole-5-carboxylic acid?
1-(2-fluoro-2-methylpropyl)tetrazole-5-carboxylic acid has a molecular weight of 188.16 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-methylpropyl)tetrazole-5-carboxylic acid is sourced from PubChem (CID 84661283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).