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

C6H9FN4O2 — CID 84661281

IUPAC2-[1-(2-fluoropropyl)tetrazol-5-yl]acetic acid
SMILESCC(F)Cn1nnnc1CC(=O)O
InChIInChI=1S/C6H9FN4O2/c1-4(7)3-11-5(2-6(12)13)8-9-10-11/h4H,2-3H2,1H3,(H,12,13)
InChIKeyLNFHICIIGWRUOE-UHFFFAOYSA-N
MW188.16 g/mol
LogP-0.34
Rot. Bonds4

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

2-[1-(2-fluoropropyl)tetrazol-5-yl]acetic acid (PubChem CID 84661281) has the molecular formula C6H9FN4O2 and a molecular weight of 188.16 g/mol. Its IUPAC name is 2-[1-(2-fluoropropyl)tetrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluoropropyl)tetrazol-5-yl]acetic acid
PubChem CID84661281
Molecular FormulaC6H9FN4O2
Molecular Weight188.16 g/mol
Exact Mass188.07
IUPAC Name2-[1-(2-fluoropropyl)tetrazol-5-yl]acetic acid
SMILESCC(F)Cn1nnnc1CC(=O)O
InChIInChI=1S/C6H9FN4O2/c1-4(7)3-11-5(2-6(12)13)8-9-10-11/h4H,2-3H2,1H3,(H,12,13)
InChIKeyLNFHICIIGWRUOE-UHFFFAOYSA-N
XLogP-0.34
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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-(2-fluoropropyl)tetrazol-5-yl]acetic acid?
The IUPAC name of 2-[1-(2-fluoropropyl)tetrazol-5-yl]acetic acid (CID 84661281) is 2-[1-(2-fluoropropyl)tetrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluoropropyl)tetrazol-5-yl]acetic acid?
The canonical SMILES for 2-[1-(2-fluoropropyl)tetrazol-5-yl]acetic acid is CC(F)Cn1nnnc1CC(=O)O.
What is the InChIKey of 2-[1-(2-fluoropropyl)tetrazol-5-yl]acetic acid?
The InChIKey is LNFHICIIGWRUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O2/c1-4(7)3-11-5(2-6(12)13)8-9-10-11/h4H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-[1-(2-fluoropropyl)tetrazol-5-yl]acetic acid?
2-[1-(2-fluoropropyl)tetrazol-5-yl]acetic acid has a molecular weight of 188.16 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoropropyl)tetrazol-5-yl]acetic acid is sourced from PubChem (CID 84661281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).