2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid

C7H5FN4O3 — CID 81298403

IUPAC2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid
SMILESO=C(O)C(F)n1nnc(-c2ccco2)n1
InChIInChI=1S/C7H5FN4O3/c8-5(7(13)14)12-10-6(9-11-12)4-2-1-3-15-4/h1-3,5H,(H,13,14)
InChIKeyHVBWYRLNTIQRFQ-UHFFFAOYSA-N
MW212.14 g/mol
LogP0.49
Rot. Bonds3

About 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid

2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid (PubChem CID 81298403) has the molecular formula C7H5FN4O3 and a molecular weight of 212.14 g/mol. Its IUPAC name is 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid
PubChem CID81298403
Molecular FormulaC7H5FN4O3
Molecular Weight212.14 g/mol
Exact Mass212.03
IUPAC Name2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid
SMILESO=C(O)C(F)n1nnc(-c2ccco2)n1
InChIInChI=1S/C7H5FN4O3/c8-5(7(13)14)12-10-6(9-11-12)4-2-1-3-15-4/h1-3,5H,(H,13,14)
InChIKeyHVBWYRLNTIQRFQ-UHFFFAOYSA-N
XLogP0.49
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid?
The IUPAC name of 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid (CID 81298403) is 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid is O=C(O)C(F)n1nnc(-c2ccco2)n1.
What is the InChIKey of 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid?
The InChIKey is HVBWYRLNTIQRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4O3/c8-5(7(13)14)12-10-6(9-11-12)4-2-1-3-15-4/h1-3,5H,(H,13,14).
What are the key properties of 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid?
2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid has a molecular weight of 212.14 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid is sourced from PubChem (CID 81298403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).