2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid

C9H7FN4O3 — CID 156506917

IUPAC2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C9H7FN4O3/c10-6-1-3-7(4-2-6)14-9(17)13(11-12-14)5-8(15)16/h1-4H,5H2,(H,15,16)
InChIKeyGTXMHDKVWWWZHS-UHFFFAOYSA-N
MW238.18 g/mol
LogP-0.35
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid

2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid (PubChem CID 156506917) has the molecular formula C9H7FN4O3 and a molecular weight of 238.18 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid
PubChem CID156506917
Molecular FormulaC9H7FN4O3
Molecular Weight238.18 g/mol
Exact Mass238.05
IUPAC Name2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C9H7FN4O3/c10-6-1-3-7(4-2-6)14-9(17)13(11-12-14)5-8(15)16/h1-4H,5H2,(H,15,16)
InChIKeyGTXMHDKVWWWZHS-UHFFFAOYSA-N
XLogP-0.35
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid (CID 156506917) is 2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid is O=C(O)Cn1nnn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid?
The InChIKey is GTXMHDKVWWWZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O3/c10-6-1-3-7(4-2-6)14-9(17)13(11-12-14)5-8(15)16/h1-4H,5H2,(H,15,16).
What are the key properties of 2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid?
2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid has a molecular weight of 238.18 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid is sourced from PubChem (CID 156506917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).