4-[5-(4-fluoro-3-methoxyphenyl)tetrazol-1-yl]butanoic acid

C12H13FN4O3 — CID 81284907

IUPAC4-[5-(4-fluoro-3-methoxyphenyl)tetrazol-1-yl]butanoic acid
SMILESCOc1cc(-c2nnnn2CCCC(=O)O)ccc1F
InChIInChI=1S/C12H13FN4O3/c1-20-10-7-8(4-5-9(10)13)12-14-15-16-17(12)6-2-3-11(18)19/h4-5,7H,2-3,6H2,1H3,(H,18,19)
InChIKeyWKPBJTCDZTZCJT-UHFFFAOYSA-N
MW280.26 g/mol
LogP1.35
Rot. Bonds6

About 4-[5-(4-fluoro-3-methoxyphenyl)tetrazol-1-yl]butanoic acid

4-[5-(4-fluoro-3-methoxyphenyl)tetrazol-1-yl]butanoic acid (PubChem CID 81284907) has the molecular formula C12H13FN4O3 and a molecular weight of 280.26 g/mol. Its IUPAC name is 4-[5-(4-fluoro-3-methoxyphenyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(4-fluoro-3-methoxyphenyl)tetrazol-1-yl]butanoic acid
PubChem CID81284907
Molecular FormulaC12H13FN4O3
Molecular Weight280.26 g/mol
Exact Mass280.10
IUPAC Name4-[5-(4-fluoro-3-methoxyphenyl)tetrazol-1-yl]butanoic acid
SMILESCOc1cc(-c2nnnn2CCCC(=O)O)ccc1F
InChIInChI=1S/C12H13FN4O3/c1-20-10-7-8(4-5-9(10)13)12-14-15-16-17(12)6-2-3-11(18)19/h4-5,7H,2-3,6H2,1H3,(H,18,19)
InChIKeyWKPBJTCDZTZCJT-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-(4-fluoro-3-methoxyphenyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(4-fluoro-3-methoxyphenyl)tetrazol-1-yl]butanoic acid (CID 81284907) is 4-[5-(4-fluoro-3-methoxyphenyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(4-fluoro-3-methoxyphenyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(4-fluoro-3-methoxyphenyl)tetrazol-1-yl]butanoic acid is COc1cc(-c2nnnn2CCCC(=O)O)ccc1F.
What is the InChIKey of 4-[5-(4-fluoro-3-methoxyphenyl)tetrazol-1-yl]butanoic acid?
The InChIKey is WKPBJTCDZTZCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O3/c1-20-10-7-8(4-5-9(10)13)12-14-15-16-17(12)6-2-3-11(18)19/h4-5,7H,2-3,6H2,1H3,(H,18,19).
What are the key properties of 4-[5-(4-fluoro-3-methoxyphenyl)tetrazol-1-yl]butanoic acid?
4-[5-(4-fluoro-3-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-(4-fluoro-3-methoxyphenyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 81284907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).