2-[1-(2-fluoroethyl)tetrazol-5-yl]acetic acid

C5H7FN4O2 — CID 84654811

IUPAC2-[1-(2-fluoroethyl)tetrazol-5-yl]acetic acid
SMILESO=C(O)Cc1nnnn1CCF
InChIInChI=1S/C5H7FN4O2/c6-1-2-10-4(3-5(11)12)7-8-9-10/h1-3H2,(H,11,12)
InChIKeyRCQYRYWKRHELFR-UHFFFAOYSA-N
MW174.13 g/mol
LogP-0.73
Rot. Bonds4

About 2-[1-(2-fluoroethyl)tetrazol-5-yl]acetic acid

2-[1-(2-fluoroethyl)tetrazol-5-yl]acetic acid (PubChem CID 84654811) has the molecular formula C5H7FN4O2 and a molecular weight of 174.13 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)tetrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)tetrazol-5-yl]acetic acid
PubChem CID84654811
Molecular FormulaC5H7FN4O2
Molecular Weight174.13 g/mol
Exact Mass174.06
IUPAC Name2-[1-(2-fluoroethyl)tetrazol-5-yl]acetic acid
SMILESO=C(O)Cc1nnnn1CCF
InChIInChI=1S/C5H7FN4O2/c6-1-2-10-4(3-5(11)12)7-8-9-10/h1-3H2,(H,11,12)
InChIKeyRCQYRYWKRHELFR-UHFFFAOYSA-N
XLogP-0.73
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethyl)tetrazol-5-yl]acetic acid?
The IUPAC name of 2-[1-(2-fluoroethyl)tetrazol-5-yl]acetic acid (CID 84654811) is 2-[1-(2-fluoroethyl)tetrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluoroethyl)tetrazol-5-yl]acetic acid?
The canonical SMILES for 2-[1-(2-fluoroethyl)tetrazol-5-yl]acetic acid is O=C(O)Cc1nnnn1CCF.
What is the InChIKey of 2-[1-(2-fluoroethyl)tetrazol-5-yl]acetic acid?
The InChIKey is RCQYRYWKRHELFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4O2/c6-1-2-10-4(3-5(11)12)7-8-9-10/h1-3H2,(H,11,12).
What are the key properties of 2-[1-(2-fluoroethyl)tetrazol-5-yl]acetic acid?
2-[1-(2-fluoroethyl)tetrazol-5-yl]acetic acid has a molecular weight of 174.13 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)tetrazol-5-yl]acetic acid is sourced from PubChem (CID 84654811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).