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

C12H13FN4O2 — CID 113400421

IUPAC4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid
SMILESCc1cc(F)ccc1-c1nnnn1CCCC(=O)O
InChIInChI=1S/C12H13FN4O2/c1-8-7-9(13)4-5-10(8)12-14-15-16-17(12)6-2-3-11(18)19/h4-5,7H,2-3,6H2,1H3,(H,18,19)
InChIKeyGDLHYGRYINDUCN-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.65
Rot. Bonds5

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

4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid (PubChem CID 113400421) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid
PubChem CID113400421
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid
SMILESCc1cc(F)ccc1-c1nnnn1CCCC(=O)O
InChIInChI=1S/C12H13FN4O2/c1-8-7-9(13)4-5-10(8)12-14-15-16-17(12)6-2-3-11(18)19/h4-5,7H,2-3,6H2,1H3,(H,18,19)
InChIKeyGDLHYGRYINDUCN-UHFFFAOYSA-N
XLogP1.65
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid (CID 113400421) is 4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid is Cc1cc(F)ccc1-c1nnnn1CCCC(=O)O.
What is the InChIKey of 4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid?
The InChIKey is GDLHYGRYINDUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-8-7-9(13)4-5-10(8)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-2-methylphenyl)tetrazol-1-yl]butanoic acid?
4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid has a molecular weight of 264.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 113400421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).