3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic acid

C10H15F3N4O3 — CID 103213540

IUPAC3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic acid
SMILESCCCC(CC(=O)O)n1nnnc1COCC(F)(F)F
InChIInChI=1S/C10H15F3N4O3/c1-2-3-7(4-9(18)19)17-8(14-15-16-17)5-20-6-10(11,12)13/h7H,2-6H2,1H3,(H,18,19)
InChIKeyJMZXUWWJMJHSIY-UHFFFAOYSA-N
MW296.25 g/mol
LogP1.57
Rot. Bonds8

About 3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic acid

3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic acid (PubChem CID 103213540) has the molecular formula C10H15F3N4O3 and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic acid.

Molecular Properties

Compound Name3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic acid
PubChem CID103213540
Molecular FormulaC10H15F3N4O3
Molecular Weight296.25 g/mol
Exact Mass296.11
IUPAC Name3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic acid
SMILESCCCC(CC(=O)O)n1nnnc1COCC(F)(F)F
InChIInChI=1S/C10H15F3N4O3/c1-2-3-7(4-9(18)19)17-8(14-15-16-17)5-20-6-10(11,12)13/h7H,2-6H2,1H3,(H,18,19)
InChIKeyJMZXUWWJMJHSIY-UHFFFAOYSA-N
XLogP1.57
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic 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 3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic acid?
The IUPAC name of 3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic acid (CID 103213540) is 3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic acid.
What is the SMILES notation for 3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic acid?
The canonical SMILES for 3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic acid is CCCC(CC(=O)O)n1nnnc1COCC(F)(F)F.
What is the InChIKey of 3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic acid?
The InChIKey is JMZXUWWJMJHSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O3/c1-2-3-7(4-9(18)19)17-8(14-15-16-17)5-20-6-10(11,12)13/h7H,2-6H2,1H3,(H,18,19).
What are the key properties of 3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic acid?
3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic acid has a molecular weight of 296.25 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]hexanoic acid is sourced from PubChem (CID 103213540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).