1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid

C10H14F2N4O3 — CID 103213515

IUPAC1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2CCOCC(F)F)CCC1
InChIInChI=1S/C10H14F2N4O3/c11-7(12)6-19-5-2-8-13-14-15-16(8)10(9(17)18)3-1-4-10/h7H,1-6H2,(H,17,18)
InChIKeyTVMJOAQYXBZVAI-UHFFFAOYSA-N
MW276.24 g/mol
LogP0.46
Rot. Bonds7

About 1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid

1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid (PubChem CID 103213515) has the molecular formula C10H14F2N4O3 and a molecular weight of 276.24 g/mol. Its IUPAC name is 1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid
PubChem CID103213515
Molecular FormulaC10H14F2N4O3
Molecular Weight276.24 g/mol
Exact Mass276.10
IUPAC Name1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2CCOCC(F)F)CCC1
InChIInChI=1S/C10H14F2N4O3/c11-7(12)6-19-5-2-8-13-14-15-16(8)10(9(17)18)3-1-4-10/h7H,1-6H2,(H,17,18)
InChIKeyTVMJOAQYXBZVAI-UHFFFAOYSA-N
XLogP0.46
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 50.46
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 1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid (CID 103213515) is 1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid is O=C(O)C1(n2nnnc2CCOCC(F)F)CCC1.
What is the InChIKey of 1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The InChIKey is TVMJOAQYXBZVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O3/c11-7(12)6-19-5-2-8-13-14-15-16(8)10(9(17)18)3-1-4-10/h7H,1-6H2,(H,17,18).
What are the key properties of 1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid?
1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid has a molecular weight of 276.24 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103213515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).