1-[5-(trifluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid

C7H7F3N4O2 — CID 81166964

IUPAC1-[5-(trifluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2C(F)(F)F)CCC1
InChIInChI=1S/C7H7F3N4O2/c8-7(9,10)4-11-12-13-14(4)6(5(15)16)2-1-3-6/h1-3H2,(H,15,16)
InChIKeyXMEJHHPILXEZSI-UHFFFAOYSA-N
MW236.15 g/mol
LogP0.66
Rot. Bonds2

About 1-[5-(trifluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid

1-[5-(trifluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (PubChem CID 81166964) has the molecular formula C7H7F3N4O2 and a molecular weight of 236.15 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
PubChem CID81166964
Molecular FormulaC7H7F3N4O2
Molecular Weight236.15 g/mol
Exact Mass236.05
IUPAC Name1-[5-(trifluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2C(F)(F)F)CCC1
InChIInChI=1S/C7H7F3N4O2/c8-7(9,10)4-11-12-13-14(4)6(5(15)16)2-1-3-6/h1-3H2,(H,15,16)
InChIKeyXMEJHHPILXEZSI-UHFFFAOYSA-N
XLogP0.66
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[5-(trifluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (CID 81166964) is 1-[5-(trifluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(trifluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[5-(trifluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is O=C(O)C1(n2nnnc2C(F)(F)F)CCC1.
What is the InChIKey of 1-[5-(trifluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The InChIKey is XMEJHHPILXEZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O2/c8-7(9,10)4-11-12-13-14(4)6(5(15)16)2-1-3-6/h1-3H2,(H,15,16).
What are the key properties of 1-[5-(trifluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
1-[5-(trifluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid has a molecular weight of 236.15 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81166964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).