1-(4-fluorophenyl)tetrazole-5-carboxylic acid

C8H5FN4O2 — CID 83883582

IUPAC1-(4-fluorophenyl)tetrazole-5-carboxylic acid
SMILESO=C(O)c1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C8H5FN4O2/c9-5-1-3-6(4-2-5)13-7(8(14)15)10-11-12-13/h1-4H,(H,14,15)
InChIKeyVDRAVMDDIOZEAF-UHFFFAOYSA-N
MW208.15 g/mol
LogP0.50
Rot. Bonds2

About 1-(4-fluorophenyl)tetrazole-5-carboxylic acid

1-(4-fluorophenyl)tetrazole-5-carboxylic acid (PubChem CID 83883582) has the molecular formula C8H5FN4O2 and a molecular weight of 208.15 g/mol. Its IUPAC name is 1-(4-fluorophenyl)tetrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)tetrazole-5-carboxylic acid
PubChem CID83883582
Molecular FormulaC8H5FN4O2
Molecular Weight208.15 g/mol
Exact Mass208.04
IUPAC Name1-(4-fluorophenyl)tetrazole-5-carboxylic acid
SMILESO=C(O)c1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C8H5FN4O2/c9-5-1-3-6(4-2-5)13-7(8(14)15)10-11-12-13/h1-4H,(H,14,15)
InChIKeyVDRAVMDDIOZEAF-UHFFFAOYSA-N
XLogP0.50
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(Z)-4-(dimethylamino)-1,1,1-trifluoro-3-[1-(4-fluorophenyl)tetrazol-5-yl]but-3-en-2-one
CID 2780793
(Z)-1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-fluorophenyl)tetrazol-5-yl]but-3-en-2-one
CID 2780803
(E)-3-(dimethylamino)-1-(4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one
CID 93017072
1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone
CID 84670641
5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
CID 1460729
2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid
CID 156506917
5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
CID 115034303
(4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone
CID 134836100
(E)-1-(2,4-difluorophenyl)-3-(dimethylamino)-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one
CID 20835075
5-benzyl-1-(4-fluorophenyl)triazole-4-carboxylic acid
CID 82201307
(Z)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]but-2-enamide
CID 18565795
2-[[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]methyl]benzoic acid
CID 1308859

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)tetrazole-5-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)tetrazole-5-carboxylic acid (CID 83883582) is 1-(4-fluorophenyl)tetrazole-5-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)tetrazole-5-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)tetrazole-5-carboxylic acid is O=C(O)c1nnnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)tetrazole-5-carboxylic acid?
The InChIKey is VDRAVMDDIOZEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN4O2/c9-5-1-3-6(4-2-5)13-7(8(14)15)10-11-12-13/h1-4H,(H,14,15).
What are the key properties of 1-(4-fluorophenyl)tetrazole-5-carboxylic acid?
1-(4-fluorophenyl)tetrazole-5-carboxylic acid has a molecular weight of 208.15 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)tetrazole-5-carboxylic acid is sourced from PubChem (CID 83883582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).