2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid

C8H13FN4O2 — CID 84681641

IUPAC2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1nnnn1CC(C)(C)F
InChIInChI=1S/C8H13FN4O2/c1-5(7(14)15)6-10-11-12-13(6)4-8(2,3)9/h5H,4H2,1-3H3,(H,14,15)
InChIKeyXKXDCEROCAGXOD-UHFFFAOYSA-N
MW216.22 g/mol
LogP0.61
Rot. Bonds4

About 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid

2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid (PubChem CID 84681641) has the molecular formula C8H13FN4O2 and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid
PubChem CID84681641
Molecular FormulaC8H13FN4O2
Molecular Weight216.22 g/mol
Exact Mass216.10
IUPAC Name2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1nnnn1CC(C)(C)F
InChIInChI=1S/C8H13FN4O2/c1-5(7(14)15)6-10-11-12-13(6)4-8(2,3)9/h5H,4H2,1-3H3,(H,14,15)
InChIKeyXKXDCEROCAGXOD-UHFFFAOYSA-N
XLogP0.61
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-fluoro-2-methylpropyl)triazol-4-yl]propanoic acid
CID 84680927
2-(1-benzyltetrazol-5-yl)propanoic acid
CID 84695493
3-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid
CID 84681639
2-ethyl-2-[[5-(3-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid
CID 113308820
2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid
CID 115431475
4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid
CID 22243678
3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 103028686
2-methyl-4-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]butanoic acid
CID 80541591
4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid
CID 80541585
3-(5-butan-2-yltetrazol-1-yl)-2-methylpropanoic acid
CID 66045315
2-amino-2-(1-ethyltetrazol-5-yl)acetic acid
CID 115013824
3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid
CID 113374865

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid?
The IUPAC name of 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid (CID 84681641) is 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid?
The canonical SMILES for 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid is CC(C(=O)O)c1nnnn1CC(C)(C)F.
What is the InChIKey of 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid?
The InChIKey is XKXDCEROCAGXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O2/c1-5(7(14)15)6-10-11-12-13(6)4-8(2,3)9/h5H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid?
2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid has a molecular weight of 216.22 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid is sourced from PubChem (CID 84681641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).