2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid

C11H10ClFN4O2 — CID 81461945

IUPAC2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1cccc(F)c1Cl
InChIInChI=1S/C11H10ClFN4O2/c1-11(2,10(18)19)17-9(14-15-16-17)6-4-3-5-7(13)8(6)12/h3-5H,1-2H3,(H,18,19)
InChIKeyPLLNKULTBNRGMU-UHFFFAOYSA-N
MW284.68 g/mol
LogP1.95
Rot. Bonds3

About 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid

2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid (PubChem CID 81461945) has the molecular formula C11H10ClFN4O2 and a molecular weight of 284.68 g/mol. Its IUPAC name is 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
PubChem CID81461945
Molecular FormulaC11H10ClFN4O2
Molecular Weight284.68 g/mol
Exact Mass284.05
IUPAC Name2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1cccc(F)c1Cl
InChIInChI=1S/C11H10ClFN4O2/c1-11(2,10(18)19)17-9(14-15-16-17)6-4-3-5-7(13)8(6)12/h3-5H,1-2H3,(H,18,19)
InChIKeyPLLNKULTBNRGMU-UHFFFAOYSA-N
XLogP1.95
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.68
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid (CID 81461945) is 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)n1nnnc1-c1cccc(F)c1Cl.
What is the InChIKey of 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is PLLNKULTBNRGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O2/c1-11(2,10(18)19)17-9(14-15-16-17)6-4-3-5-7(13)8(6)12/h3-5H,1-2H3,(H,18,19).
What are the key properties of 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid?
2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 284.68 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 81461945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).