2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid

C5H7FN4O2 — CID 115014242

IUPAC2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid
SMILESCCn1nnnc1C(F)C(=O)O
InChIInChI=1S/C5H7FN4O2/c1-2-10-4(7-8-9-10)3(6)5(11)12/h3H,2H2,1H3,(H,11,12)
InChIKeyMQCWHDLIRWISBQ-UHFFFAOYSA-N
MW174.14 g/mol
LogP-0.21
Rot. Bonds3

About 2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid

2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid (PubChem CID 115014242) has the molecular formula C5H7FN4O2 and a molecular weight of 174.14 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid
PubChem CID115014242
Molecular FormulaC5H7FN4O2
Molecular Weight174.14 g/mol
Exact Mass174.06
IUPAC Name2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid
SMILESCCn1nnnc1C(F)C(=O)O
InChIInChI=1S/C5H7FN4O2/c1-2-10-4(7-8-9-10)3(6)5(11)12/h3H,2H2,1H3,(H,11,12)
InChIKeyMQCWHDLIRWISBQ-UHFFFAOYSA-N
XLogP-0.21
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 ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid (CID 115014242) is 2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid is CCn1nnnc1C(F)C(=O)O.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid?
The InChIKey is MQCWHDLIRWISBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4O2/c1-2-10-4(7-8-9-10)3(6)5(11)12/h3H,2H2,1H3,(H,11,12).
What are the key properties of 2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid?
2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid has a molecular weight of 174.14 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltetrazol-5-yl)-2-fluoroacetic acid is sourced from PubChem (CID 115014242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).