2-(3-fluorophenyl)-5-pyrrolidin-2-yltetrazole

C11H12FN5 — CID 70318180

IUPAC2-(3-fluorophenyl)-5-pyrrolidin-2-yltetrazole
SMILESFc1cccc(-n2nnc(C3CCCN3)n2)c1
InChIInChI=1S/C11H12FN5/c12-8-3-1-4-9(7-8)17-15-11(14-16-17)10-5-2-6-13-10/h1,3-4,7,10,13H,2,5-6H2
InChIKeyGQCAPLSEHFFQKD-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.23
Rot. Bonds2

About 2-(3-fluorophenyl)-5-pyrrolidin-2-yltetrazole

2-(3-fluorophenyl)-5-pyrrolidin-2-yltetrazole (PubChem CID 70318180) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-pyrrolidin-2-yltetrazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-pyrrolidin-2-yltetrazole
PubChem CID70318180
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC Name2-(3-fluorophenyl)-5-pyrrolidin-2-yltetrazole
SMILESFc1cccc(-n2nnc(C3CCCN3)n2)c1
InChIInChI=1S/C11H12FN5/c12-8-3-1-4-9(7-8)17-15-11(14-16-17)10-5-2-6-13-10/h1,3-4,7,10,13H,2,5-6H2
InChIKeyGQCAPLSEHFFQKD-UHFFFAOYSA-N
XLogP1.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-pyrrolidin-2-yltetrazole?
The IUPAC name of 2-(3-fluorophenyl)-5-pyrrolidin-2-yltetrazole (CID 70318180) is 2-(3-fluorophenyl)-5-pyrrolidin-2-yltetrazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-pyrrolidin-2-yltetrazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-pyrrolidin-2-yltetrazole is Fc1cccc(-n2nnc(C3CCCN3)n2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-pyrrolidin-2-yltetrazole?
The InChIKey is GQCAPLSEHFFQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5/c12-8-3-1-4-9(7-8)17-15-11(14-16-17)10-5-2-6-13-10/h1,3-4,7,10,13H,2,5-6H2.
What are the key properties of 2-(3-fluorophenyl)-5-pyrrolidin-2-yltetrazole?
2-(3-fluorophenyl)-5-pyrrolidin-2-yltetrazole has a molecular weight of 233.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-pyrrolidin-2-yltetrazole is sourced from PubChem (CID 70318180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).