5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid

C12H7FN4O2S — CID 68705656

IUPAC5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2nn[nH]n2)c(-c2cccc(F)c2)s1
InChIInChI=1S/C12H7FN4O2S/c13-7-3-1-2-6(4-7)10-8(11-14-16-17-15-11)5-9(20-10)12(18)19/h1-5H,(H,18,19)(H,14,15,16,17)
InChIKeyYGNNXXTUHPHENV-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.43
Rot. Bonds3

About 5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid

5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid (PubChem CID 68705656) has the molecular formula C12H7FN4O2S and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
PubChem CID68705656
Molecular FormulaC12H7FN4O2S
Molecular Weight290.28 g/mol
Exact Mass290.03
IUPAC Name5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2nn[nH]n2)c(-c2cccc(F)c2)s1
InChIInChI=1S/C12H7FN4O2S/c13-7-3-1-2-6(4-7)10-8(11-14-16-17-15-11)5-9(20-10)12(18)19/h1-5H,(H,18,19)(H,14,15,16,17)
InChIKeyYGNNXXTUHPHENV-UHFFFAOYSA-N
XLogP2.43
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid (CID 68705656) is 5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid is O=C(O)c1cc(-c2nn[nH]n2)c(-c2cccc(F)c2)s1.
What is the InChIKey of 5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid?
The InChIKey is YGNNXXTUHPHENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O2S/c13-7-3-1-2-6(4-7)10-8(11-14-16-17-15-11)5-9(20-10)12(18)19/h1-5H,(H,18,19)(H,14,15,16,17).
What are the key properties of 5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid?
5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 68705656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).