4-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid

C10H16F2N4O4 — CID 103213558

IUPAC4-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1CCOCC(F)F
InChIInChI=1S/C10H16F2N4O4/c1-19-7(4-10(17)18)5-16-9(13-14-15-16)2-3-20-6-8(11)12/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyABQMJHYZAVGGLB-UHFFFAOYSA-N
MW294.26 g/mol
LogP-0.01
Rot. Bonds10

About 4-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid

4-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid (PubChem CID 103213558) has the molecular formula C10H16F2N4O4 and a molecular weight of 294.26 g/mol. Its IUPAC name is 4-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid
PubChem CID103213558
Molecular FormulaC10H16F2N4O4
Molecular Weight294.26 g/mol
Exact Mass294.11
IUPAC Name4-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1CCOCC(F)F
InChIInChI=1S/C10H16F2N4O4/c1-19-7(4-10(17)18)5-16-9(13-14-15-16)2-3-20-6-8(11)12/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyABQMJHYZAVGGLB-UHFFFAOYSA-N
XLogP-0.01
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid?
The IUPAC name of 4-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid (CID 103213558) is 4-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid?
The canonical SMILES for 4-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid is COC(CC(=O)O)Cn1nnnc1CCOCC(F)F.
What is the InChIKey of 4-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid?
The InChIKey is ABQMJHYZAVGGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O4/c1-19-7(4-10(17)18)5-16-9(13-14-15-16)2-3-20-6-8(11)12/h7-8H,2-6H2,1H3,(H,17,18).
What are the key properties of 4-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid?
4-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid has a molecular weight of 294.26 g/mol, XLogP of -0.01, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]-3-methoxybutanoic acid is sourced from PubChem (CID 103213558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).