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

C8H8F4N4O2 — CID 81167400

IUPAC1-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2C(F)(F)C(F)F)CCC1
InChIInChI=1S/C8H8F4N4O2/c9-4(10)8(11,12)5-13-14-15-16(5)7(6(17)18)2-1-3-7/h4H,1-3H2,(H,17,18)
InChIKeyUICAHIXIPUEHOF-UHFFFAOYSA-N
MW268.17 g/mol
LogP0.99
Rot. Bonds4

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

1-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (PubChem CID 81167400) has the molecular formula C8H8F4N4O2 and a molecular weight of 268.17 g/mol. Its IUPAC name is 1-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
PubChem CID81167400
Molecular FormulaC8H8F4N4O2
Molecular Weight268.17 g/mol
Exact Mass268.06
IUPAC Name1-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2C(F)(F)C(F)F)CCC1
InChIInChI=1S/C8H8F4N4O2/c9-4(10)8(11,12)5-13-14-15-16(5)7(6(17)18)2-1-3-7/h4H,1-3H2,(H,17,18)
InChIKeyUICAHIXIPUEHOF-UHFFFAOYSA-N
XLogP0.99
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (CID 81167400) is 1-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is O=C(O)C1(n2nnnc2C(F)(F)C(F)F)CCC1.
What is the InChIKey of 1-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The InChIKey is UICAHIXIPUEHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N4O2/c9-4(10)8(11,12)5-13-14-15-16(5)7(6(17)18)2-1-3-7/h4H,1-3H2,(H,17,18).
What are the key properties of 1-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
1-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid has a molecular weight of 268.17 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).