2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid

C12H11F3N4O2 — CID 66041204

IUPAC2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N4O2/c1-11(2,10(20)21)19-9(16-17-18-19)7-4-3-5-8(6-7)12(13,14)15/h3-6H,1-2H3,(H,20,21)
InChIKeySWVTUERCNGLSKA-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.18
Rot. Bonds3

About 2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid

2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid (PubChem CID 66041204) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid
PubChem CID66041204
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N4O2/c1-11(2,10(20)21)19-9(16-17-18-19)7-4-3-5-8(6-7)12(13,14)15/h3-6H,1-2H3,(H,20,21)
InChIKeySWVTUERCNGLSKA-UHFFFAOYSA-N
XLogP2.18
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid (CID 66041204) is 2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid is CC(C)(C(=O)O)n1nnnc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid?
The InChIKey is SWVTUERCNGLSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-11(2,10(20)21)19-9(16-17-18-19)7-4-3-5-8(6-7)12(13,14)15/h3-6H,1-2H3,(H,20,21).
What are the key properties of 2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid?
2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid has a molecular weight of 300.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66041204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).