2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid

C12H12F2N4O2 — CID 82818547

IUPAC2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCc1ccc(F)c(-c2nnnn2C(C)(C)C(=O)O)c1F
InChIInChI=1S/C12H12F2N4O2/c1-6-4-5-7(13)8(9(6)14)10-15-16-17-18(10)12(2,3)11(19)20/h4-5H,1-3H3,(H,19,20)
InChIKeyVHJVQEXGUCQLNT-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.75
Rot. Bonds3

About 2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid

2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid (PubChem CID 82818547) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is 2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
PubChem CID82818547
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCc1ccc(F)c(-c2nnnn2C(C)(C)C(=O)O)c1F
InChIInChI=1S/C12H12F2N4O2/c1-6-4-5-7(13)8(9(6)14)10-15-16-17-18(10)12(2,3)11(19)20/h4-5H,1-3H3,(H,19,20)
InChIKeyVHJVQEXGUCQLNT-UHFFFAOYSA-N
XLogP1.75
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid (CID 82818547) is 2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid is Cc1ccc(F)c(-c2nnnn2C(C)(C)C(=O)O)c1F.
What is the InChIKey of 2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is VHJVQEXGUCQLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c1-6-4-5-7(13)8(9(6)14)10-15-16-17-18(10)12(2,3)11(19)20/h4-5H,1-3H3,(H,19,20).
What are the key properties of 2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid?
2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 282.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 82818547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).