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

C6H9FN4O2 — CID 130561793

IUPAC2-[5-(2-fluoropropan-2-yl)tetrazol-1-yl]acetic acid
SMILESCC(C)(F)c1nnnn1CC(=O)O
InChIInChI=1S/C6H9FN4O2/c1-6(2,7)5-8-9-10-11(5)3-4(12)13/h3H2,1-2H3,(H,12,13)
InChIKeyLDOSXFYUXVBCFJ-UHFFFAOYSA-N
MW188.16 g/mol
LogP-0.04
Rot. Bonds3

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

2-[5-(2-fluoropropan-2-yl)tetrazol-1-yl]acetic acid (PubChem CID 130561793) has the molecular formula C6H9FN4O2 and a molecular weight of 188.16 g/mol. Its IUPAC name is 2-[5-(2-fluoropropan-2-yl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-fluoropropan-2-yl)tetrazol-1-yl]acetic acid
PubChem CID130561793
Molecular FormulaC6H9FN4O2
Molecular Weight188.16 g/mol
Exact Mass188.07
IUPAC Name2-[5-(2-fluoropropan-2-yl)tetrazol-1-yl]acetic acid
SMILESCC(C)(F)c1nnnn1CC(=O)O
InChIInChI=1S/C6H9FN4O2/c1-6(2,7)5-8-9-10-11(5)3-4(12)13/h3H2,1-2H3,(H,12,13)
InChIKeyLDOSXFYUXVBCFJ-UHFFFAOYSA-N
XLogP-0.04
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluoropropan-2-yl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(2-fluoropropan-2-yl)tetrazol-1-yl]acetic acid (CID 130561793) is 2-[5-(2-fluoropropan-2-yl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-fluoropropan-2-yl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(2-fluoropropan-2-yl)tetrazol-1-yl]acetic acid is CC(C)(F)c1nnnn1CC(=O)O.
What is the InChIKey of 2-[5-(2-fluoropropan-2-yl)tetrazol-1-yl]acetic acid?
The InChIKey is LDOSXFYUXVBCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O2/c1-6(2,7)5-8-9-10-11(5)3-4(12)13/h3H2,1-2H3,(H,12,13).
What are the key properties of 2-[5-(2-fluoropropan-2-yl)tetrazol-1-yl]acetic acid?
2-[5-(2-fluoropropan-2-yl)tetrazol-1-yl]acetic acid has a molecular weight of 188.16 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluoropropan-2-yl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 130561793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).