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

C6H9FN4O2 — CID 84661284

IUPAC2-[1-(3-fluoropropyl)tetrazol-5-yl]acetic acid
SMILESO=C(O)Cc1nnnn1CCCF
InChIInChI=1S/C6H9FN4O2/c7-2-1-3-11-5(4-6(12)13)8-9-10-11/h1-4H2,(H,12,13)
InChIKeyNYQICNHBLCSLHB-UHFFFAOYSA-N
MW188.16 g/mol
LogP-0.34
Rot. Bonds5

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

2-[1-(3-fluoropropyl)tetrazol-5-yl]acetic acid (PubChem CID 84661284) has the molecular formula C6H9FN4O2 and a molecular weight of 188.16 g/mol. Its IUPAC name is 2-[1-(3-fluoropropyl)tetrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-fluoropropyl)tetrazol-5-yl]acetic acid
PubChem CID84661284
Molecular FormulaC6H9FN4O2
Molecular Weight188.16 g/mol
Exact Mass188.07
IUPAC Name2-[1-(3-fluoropropyl)tetrazol-5-yl]acetic acid
SMILESO=C(O)Cc1nnnn1CCCF
InChIInChI=1S/C6H9FN4O2/c7-2-1-3-11-5(4-6(12)13)8-9-10-11/h1-4H2,(H,12,13)
InChIKeyNYQICNHBLCSLHB-UHFFFAOYSA-N
XLogP-0.34
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoropropyl)tetrazol-5-yl]acetic acid?
The IUPAC name of 2-[1-(3-fluoropropyl)tetrazol-5-yl]acetic acid (CID 84661284) is 2-[1-(3-fluoropropyl)tetrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-fluoropropyl)tetrazol-5-yl]acetic acid?
The canonical SMILES for 2-[1-(3-fluoropropyl)tetrazol-5-yl]acetic acid is O=C(O)Cc1nnnn1CCCF.
What is the InChIKey of 2-[1-(3-fluoropropyl)tetrazol-5-yl]acetic acid?
The InChIKey is NYQICNHBLCSLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O2/c7-2-1-3-11-5(4-6(12)13)8-9-10-11/h1-4H2,(H,12,13).
What are the key properties of 2-[1-(3-fluoropropyl)tetrazol-5-yl]acetic acid?
2-[1-(3-fluoropropyl)tetrazol-5-yl]acetic acid has a molecular weight of 188.16 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoropropyl)tetrazol-5-yl]acetic acid is sourced from PubChem (CID 84661284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).