2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid

C14H17FN4O2 — CID 82226164

IUPAC2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid
SMILESCCCCC(C(=O)O)n1nnnc1Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN4O2/c1-2-3-4-12(14(20)21)19-13(16-17-18-19)9-10-5-7-11(15)8-6-10/h5-8,12H,2-4,9H2,1H3,(H,20,21)
InChIKeyAGZJCLHZXPELTD-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.22
Rot. Bonds7

About 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid

2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid (PubChem CID 82226164) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid
PubChem CID82226164
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid
SMILESCCCCC(C(=O)O)n1nnnc1Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN4O2/c1-2-3-4-12(14(20)21)19-13(16-17-18-19)9-10-5-7-11(15)8-6-10/h5-8,12H,2-4,9H2,1H3,(H,20,21)
InChIKeyAGZJCLHZXPELTD-UHFFFAOYSA-N
XLogP2.22
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid (CID 82226164) is 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid is CCCCC(C(=O)O)n1nnnc1Cc1ccc(F)cc1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid?
The InChIKey is AGZJCLHZXPELTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-2-3-4-12(14(20)21)19-13(16-17-18-19)9-10-5-7-11(15)8-6-10/h5-8,12H,2-4,9H2,1H3,(H,20,21).
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid?
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid has a molecular weight of 292.31 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid is sourced from PubChem (CID 82226164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).