3-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]pentanoic acid

C11H18F2N4O3 — CID 103213511

IUPAC3-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1CCOCC(F)F
InChIInChI=1S/C11H18F2N4O3/c1-2-8(5-11(18)19)6-17-10(14-15-16-17)3-4-20-7-9(12)13/h8-9H,2-7H2,1H3,(H,18,19)
InChIKeyFUKDNDMGIYIXAN-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.00
Rot. Bonds10

About 3-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]pentanoic acid

3-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]pentanoic acid (PubChem CID 103213511) has the molecular formula C11H18F2N4O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]pentanoic acid
PubChem CID103213511
Molecular FormulaC11H18F2N4O3
Molecular Weight292.29 g/mol
Exact Mass292.13
IUPAC Name3-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1CCOCC(F)F
InChIInChI=1S/C11H18F2N4O3/c1-2-8(5-11(18)19)6-17-10(14-15-16-17)3-4-20-7-9(12)13/h8-9H,2-7H2,1H3,(H,18,19)
InChIKeyFUKDNDMGIYIXAN-UHFFFAOYSA-N
XLogP1.00
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]pentanoic acid?
The IUPAC name of 3-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]pentanoic acid (CID 103213511) is 3-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]pentanoic acid.
What is the SMILES notation for 3-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]pentanoic acid?
The canonical SMILES for 3-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]pentanoic acid is CCC(CC(=O)O)Cn1nnnc1CCOCC(F)F.
What is the InChIKey of 3-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]pentanoic acid?
The InChIKey is FUKDNDMGIYIXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O3/c1-2-8(5-11(18)19)6-17-10(14-15-16-17)3-4-20-7-9(12)13/h8-9H,2-7H2,1H3,(H,18,19).
What are the key properties of 3-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]pentanoic acid?
3-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]pentanoic acid has a molecular weight of 292.29 g/mol, XLogP of 1.00, 10 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-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]pentanoic acid is sourced from PubChem (CID 103213511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).