2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid

C10H9FN4O3 — CID 116820053

IUPAC2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(COc2ccc(F)cc2)n1
InChIInChI=1S/C10H9FN4O3/c11-7-1-3-8(4-2-7)18-6-9-12-14-15(13-9)5-10(16)17/h1-4H,5-6H2,(H,16,17)
InChIKeyURIJJQXUCRMSHE-UHFFFAOYSA-N
MW252.21 g/mol
LogP0.48
Rot. Bonds5

About 2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid

2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid (PubChem CID 116820053) has the molecular formula C10H9FN4O3 and a molecular weight of 252.21 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid
PubChem CID116820053
Molecular FormulaC10H9FN4O3
Molecular Weight252.21 g/mol
Exact Mass252.07
IUPAC Name2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(COc2ccc(F)cc2)n1
InChIInChI=1S/C10H9FN4O3/c11-7-1-3-8(4-2-7)18-6-9-12-14-15(13-9)5-10(16)17/h1-4H,5-6H2,(H,16,17)
InChIKeyURIJJQXUCRMSHE-UHFFFAOYSA-N
XLogP0.48
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[(2-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820051
N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9070433
4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide
CID 8870849
2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820058
2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9071036
2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid
CID 746025
N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 51231033
1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
CID 9071492
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone
CID 107043044
2-[3-[(4-fluorophenoxy)methyl]-5-(oxan-4-yl)-1,2,4-triazol-1-yl]acetic acid
CID 74238916
2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid
CID 43237542

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid (CID 116820053) is 2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid is O=C(O)Cn1nnc(COc2ccc(F)cc2)n1.
What is the InChIKey of 2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid?
The InChIKey is URIJJQXUCRMSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O3/c11-7-1-3-8(4-2-7)18-6-9-12-14-15(13-9)5-10(16)17/h1-4H,5-6H2,(H,16,17).
What are the key properties of 2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid?
2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid has a molecular weight of 252.21 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 116820053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).