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

C8H13FN4O2 — CID 84681642

IUPAC2-[1-(3-fluoro-3-methylbutyl)tetrazol-5-yl]acetic acid
SMILESCC(C)(F)CCn1nnnc1CC(=O)O
InChIInChI=1S/C8H13FN4O2/c1-8(2,9)3-4-13-6(5-7(14)15)10-11-12-13/h3-5H2,1-2H3,(H,14,15)
InChIKeyCRMKXKIOAOVDIT-UHFFFAOYSA-N
MW216.22 g/mol
LogP0.44
Rot. Bonds5

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

2-[1-(3-fluoro-3-methylbutyl)tetrazol-5-yl]acetic acid (PubChem CID 84681642) has the molecular formula C8H13FN4O2 and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-[1-(3-fluoro-3-methylbutyl)tetrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-fluoro-3-methylbutyl)tetrazol-5-yl]acetic acid
PubChem CID84681642
Molecular FormulaC8H13FN4O2
Molecular Weight216.22 g/mol
Exact Mass216.10
IUPAC Name2-[1-(3-fluoro-3-methylbutyl)tetrazol-5-yl]acetic acid
SMILESCC(C)(F)CCn1nnnc1CC(=O)O
InChIInChI=1S/C8H13FN4O2/c1-8(2,9)3-4-13-6(5-7(14)15)10-11-12-13/h3-5H2,1-2H3,(H,14,15)
InChIKeyCRMKXKIOAOVDIT-UHFFFAOYSA-N
XLogP0.44
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-3-methylbutyl)tetrazol-5-yl]acetic acid?
The IUPAC name of 2-[1-(3-fluoro-3-methylbutyl)tetrazol-5-yl]acetic acid (CID 84681642) is 2-[1-(3-fluoro-3-methylbutyl)tetrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-fluoro-3-methylbutyl)tetrazol-5-yl]acetic acid?
The canonical SMILES for 2-[1-(3-fluoro-3-methylbutyl)tetrazol-5-yl]acetic acid is CC(C)(F)CCn1nnnc1CC(=O)O.
What is the InChIKey of 2-[1-(3-fluoro-3-methylbutyl)tetrazol-5-yl]acetic acid?
The InChIKey is CRMKXKIOAOVDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O2/c1-8(2,9)3-4-13-6(5-7(14)15)10-11-12-13/h3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(3-fluoro-3-methylbutyl)tetrazol-5-yl]acetic acid?
2-[1-(3-fluoro-3-methylbutyl)tetrazol-5-yl]acetic acid has a molecular weight of 216.22 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-3-methylbutyl)tetrazol-5-yl]acetic acid is sourced from PubChem (CID 84681642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).