4-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid

C12H13FN4O3 — CID 66044860

IUPAC4-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid
SMILESCOc1cccc(F)c1-c1nnnn1CCCC(=O)O
InChIInChI=1S/C12H13FN4O3/c1-20-9-5-2-4-8(13)11(9)12-14-15-16-17(12)7-3-6-10(18)19/h2,4-5H,3,6-7H2,1H3,(H,18,19)
InChIKeyXJXTWSAPKPAKHR-UHFFFAOYSA-N
MW280.26 g/mol
LogP1.35
Rot. Bonds6

About 4-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid

4-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid (PubChem CID 66044860) has the molecular formula C12H13FN4O3 and a molecular weight of 280.26 g/mol. Its IUPAC name is 4-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid
PubChem CID66044860
Molecular FormulaC12H13FN4O3
Molecular Weight280.26 g/mol
Exact Mass280.10
IUPAC Name4-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid
SMILESCOc1cccc(F)c1-c1nnnn1CCCC(=O)O
InChIInChI=1S/C12H13FN4O3/c1-20-9-5-2-4-8(13)11(9)12-14-15-16-17(12)7-3-6-10(18)19/h2,4-5H,3,6-7H2,1H3,(H,18,19)
InChIKeyXJXTWSAPKPAKHR-UHFFFAOYSA-N
XLogP1.35
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid (CID 66044860) is 4-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid is COc1cccc(F)c1-c1nnnn1CCCC(=O)O.
What is the InChIKey of 4-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid?
The InChIKey is XJXTWSAPKPAKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O3/c1-20-9-5-2-4-8(13)11(9)12-14-15-16-17(12)7-3-6-10(18)19/h2,4-5H,3,6-7H2,1H3,(H,18,19).
What are the key properties of 4-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid?
4-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid has a molecular weight of 280.26 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 66044860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).