2-fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid

C5H7FN4O2 — CID 84654810

IUPAC2-fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid
SMILESCC(F)(Cn1cnnn1)C(=O)O
InChIInChI=1S/C5H7FN4O2/c1-5(6,4(11)12)2-10-3-7-8-9-10/h3H,2H2,1H3,(H,11,12)
InChIKeyCAVLTCPLTDYLJZ-UHFFFAOYSA-N
MW174.14 g/mol
LogP-0.51
Rot. Bonds3

About 2-fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid

2-fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid (PubChem CID 84654810) has the molecular formula C5H7FN4O2 and a molecular weight of 174.14 g/mol. Its IUPAC name is 2-fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid
PubChem CID84654810
Molecular FormulaC5H7FN4O2
Molecular Weight174.14 g/mol
Exact Mass174.06
IUPAC Name2-fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid
SMILESCC(F)(Cn1cnnn1)C(=O)O
InChIInChI=1S/C5H7FN4O2/c1-5(6,4(11)12)2-10-3-7-8-9-10/h3H,2H2,1H3,(H,11,12)
InChIKeyCAVLTCPLTDYLJZ-UHFFFAOYSA-N
XLogP-0.51
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid?
The IUPAC name of 2-fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid (CID 84654810) is 2-fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid?
The canonical SMILES for 2-fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid is CC(F)(Cn1cnnn1)C(=O)O.
What is the InChIKey of 2-fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid?
The InChIKey is CAVLTCPLTDYLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4O2/c1-5(6,4(11)12)2-10-3-7-8-9-10/h3H,2H2,1H3,(H,11,12).
What are the key properties of 2-fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid?
2-fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid has a molecular weight of 174.14 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid is sourced from PubChem (CID 84654810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).