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

C4H5FN4O2 — CID 84650989

IUPAC2-fluoro-3-(tetrazol-1-yl)propanoic acid
SMILESO=C(O)C(F)Cn1cnnn1
InChIInChI=1S/C4H5FN4O2/c5-3(4(10)11)1-9-2-6-7-8-9/h2-3H,1H2,(H,10,11)
InChIKeySDVSMJGHXUGPDM-UHFFFAOYSA-N
MW160.11 g/mol
LogP-0.90
Rot. Bonds3

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

2-fluoro-3-(tetrazol-1-yl)propanoic acid (PubChem CID 84650989) has the molecular formula C4H5FN4O2 and a molecular weight of 160.11 g/mol. Its IUPAC name is 2-fluoro-3-(tetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-fluoro-3-(tetrazol-1-yl)propanoic acid
PubChem CID84650989
Molecular FormulaC4H5FN4O2
Molecular Weight160.11 g/mol
Exact Mass160.04
IUPAC Name2-fluoro-3-(tetrazol-1-yl)propanoic acid
SMILESO=C(O)C(F)Cn1cnnn1
InChIInChI=1S/C4H5FN4O2/c5-3(4(10)11)1-9-2-6-7-8-9/h2-3H,1H2,(H,10,11)
InChIKeySDVSMJGHXUGPDM-UHFFFAOYSA-N
XLogP-0.90
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.11
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(tetrazol-1-yl)propanoic acid?
The IUPAC name of 2-fluoro-3-(tetrazol-1-yl)propanoic acid (CID 84650989) is 2-fluoro-3-(tetrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-fluoro-3-(tetrazol-1-yl)propanoic acid?
The canonical SMILES for 2-fluoro-3-(tetrazol-1-yl)propanoic acid is O=C(O)C(F)Cn1cnnn1.
What is the InChIKey of 2-fluoro-3-(tetrazol-1-yl)propanoic acid?
The InChIKey is SDVSMJGHXUGPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN4O2/c5-3(4(10)11)1-9-2-6-7-8-9/h2-3H,1H2,(H,10,11).
What are the key properties of 2-fluoro-3-(tetrazol-1-yl)propanoic acid?
2-fluoro-3-(tetrazol-1-yl)propanoic acid has a molecular weight of 160.11 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(tetrazol-1-yl)propanoic acid is sourced from PubChem (CID 84650989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).