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

C11H10ClFN4O2 — CID 81262480

IUPAC3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCC(Cn1nnnc1-c1cccc(Cl)c1F)C(=O)O
InChIInChI=1S/C11H10ClFN4O2/c1-6(11(18)19)5-17-10(14-15-16-17)7-3-2-4-8(12)9(7)13/h2-4,6H,5H2,1H3,(H,18,19)
InChIKeyZTOUELNBBSZFQP-UHFFFAOYSA-N
MW284.68 g/mol
LogP1.85
Rot. Bonds4

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

3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid (PubChem CID 81262480) has the molecular formula C11H10ClFN4O2 and a molecular weight of 284.68 g/mol. Its IUPAC name is 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
PubChem CID81262480
Molecular FormulaC11H10ClFN4O2
Molecular Weight284.68 g/mol
Exact Mass284.05
IUPAC Name3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCC(Cn1nnnc1-c1cccc(Cl)c1F)C(=O)O
InChIInChI=1S/C11H10ClFN4O2/c1-6(11(18)19)5-17-10(14-15-16-17)7-3-2-4-8(12)9(7)13/h2-4,6H,5H2,1H3,(H,18,19)
InChIKeyZTOUELNBBSZFQP-UHFFFAOYSA-N
XLogP1.85
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.68
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid (CID 81262480) is 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid is CC(Cn1nnnc1-c1cccc(Cl)c1F)C(=O)O.
What is the InChIKey of 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is ZTOUELNBBSZFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O2/c1-6(11(18)19)5-17-10(14-15-16-17)7-3-2-4-8(12)9(7)13/h2-4,6H,5H2,1H3,(H,18,19).
What are the key properties of 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid?
3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 284.68 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 81262480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).