2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid

C10H9FN4O2 — CID 84758809

IUPAC2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid
SMILESO=C(O)Cc1nnnn1Cc1cccc(F)c1
InChIInChI=1S/C10H9FN4O2/c11-8-3-1-2-7(4-8)6-15-9(5-10(16)17)12-13-14-15/h1-4H,5-6H2,(H,16,17)
InChIKeyZQWHERLJKVFOCS-UHFFFAOYSA-N
MW236.21 g/mol
LogP0.49
Rot. Bonds4

About 2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid

2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid (PubChem CID 84758809) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid
PubChem CID84758809
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Name2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid
SMILESO=C(O)Cc1nnnn1Cc1cccc(F)c1
InChIInChI=1S/C10H9FN4O2/c11-8-3-1-2-7(4-8)6-15-9(5-10(16)17)12-13-14-15/h1-4H,5-6H2,(H,16,17)
InChIKeyZQWHERLJKVFOCS-UHFFFAOYSA-N
XLogP0.49
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetyl]amino]propanoic acid
CID 117097838
1-[(3-fluorophenyl)methyl]tetrazol-5-amine
CID 79506981
2-[5-chloro-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]acetic acid
CID 115068562
2-[1-[(2,4-dimethylphenyl)methyl]tetrazol-5-yl]acetic acid
CID 84758827
1-[(3-fluorophenyl)methyl]benzotriazole-4-carboxylic acid
CID 115541625
3-[1-[(3-methoxycarbonylphenyl)methyl]tetrazol-5-yl]propanoic acid
CID 84758853
1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one
CID 17482252
3-(3-fluorophenyl)-2-(1-methyltetrazol-5-yl)propanoic acid
CID 104572725
5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]-2-methylaniline
CID 61376820
3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 63278969
1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 26398739
2-[5-[2-(3-methylphenyl)ethyl]tetrazol-1-yl]acetic acid
CID 66040764

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid (CID 84758809) is 2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid is O=C(O)Cc1nnnn1Cc1cccc(F)c1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid?
The InChIKey is ZQWHERLJKVFOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c11-8-3-1-2-7(4-8)6-15-9(5-10(16)17)12-13-14-15/h1-4H,5-6H2,(H,16,17).
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid?
2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid has a molecular weight of 236.21 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid is sourced from PubChem (CID 84758809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).