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

C5H5F3N4O2 — CID 66041576

IUPAC2-[5-(trifluoromethyl)tetrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nnnc1C(F)(F)F
InChIInChI=1S/C5H5F3N4O2/c1-2(3(13)14)12-4(5(6,7)8)9-10-11-12/h2H,1H3,(H,13,14)
InChIKeyYZGASDNNLYXNTC-UHFFFAOYSA-N
MW210.11 g/mol
LogP0.34
Rot. Bonds2

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

2-[5-(trifluoromethyl)tetrazol-1-yl]propanoic acid (PubChem CID 66041576) has the molecular formula C5H5F3N4O2 and a molecular weight of 210.11 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)tetrazol-1-yl]propanoic acid
PubChem CID66041576
Molecular FormulaC5H5F3N4O2
Molecular Weight210.11 g/mol
Exact Mass210.04
IUPAC Name2-[5-(trifluoromethyl)tetrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nnnc1C(F)(F)F
InChIInChI=1S/C5H5F3N4O2/c1-2(3(13)14)12-4(5(6,7)8)9-10-11-12/h2H,1H3,(H,13,14)
InChIKeyYZGASDNNLYXNTC-UHFFFAOYSA-N
XLogP0.34
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-(trifluoromethyl)tetrazol-1-yl]propanoic acid (CID 66041576) is 2-[5-(trifluoromethyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-(trifluoromethyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-(trifluoromethyl)tetrazol-1-yl]propanoic acid is CC(C(=O)O)n1nnnc1C(F)(F)F.
What is the InChIKey of 2-[5-(trifluoromethyl)tetrazol-1-yl]propanoic acid?
The InChIKey is YZGASDNNLYXNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O2/c1-2(3(13)14)12-4(5(6,7)8)9-10-11-12/h2H,1H3,(H,13,14).
What are the key properties of 2-[5-(trifluoromethyl)tetrazol-1-yl]propanoic acid?
2-[5-(trifluoromethyl)tetrazol-1-yl]propanoic acid has a molecular weight of 210.11 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66041576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).