2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]acetic acid

C6H7F3N4O2 — CID 66040573

IUPAC2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1CCC(F)(F)F
InChIInChI=1S/C6H7F3N4O2/c7-6(8,9)2-1-4-10-11-12-13(4)3-5(14)15/h1-3H2,(H,14,15)
InChIKeyFZUSMIPKJIDVJT-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.25
Rot. Bonds4

About 2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]acetic acid

2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]acetic acid (PubChem CID 66040573) has the molecular formula C6H7F3N4O2 and a molecular weight of 224.14 g/mol. Its IUPAC name is 2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]acetic acid
PubChem CID66040573
Molecular FormulaC6H7F3N4O2
Molecular Weight224.14 g/mol
Exact Mass224.05
IUPAC Name2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1CCC(F)(F)F
InChIInChI=1S/C6H7F3N4O2/c7-6(8,9)2-1-4-10-11-12-13(4)3-5(14)15/h1-3H2,(H,14,15)
InChIKeyFZUSMIPKJIDVJT-UHFFFAOYSA-N
XLogP0.25
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]acetic acid (CID 66040573) is 2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1CCC(F)(F)F.
What is the InChIKey of 2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]acetic acid?
The InChIKey is FZUSMIPKJIDVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O2/c7-6(8,9)2-1-4-10-11-12-13(4)3-5(14)15/h1-3H2,(H,14,15).
What are the key properties of 2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]acetic acid?
2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]acetic acid has a molecular weight of 224.14 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66040573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).