2-(3,5-difluorophenyl)-5-pyrrolidin-2-yltetrazole

C11H11F2N5 — CID 70317462

IUPAC2-(3,5-difluorophenyl)-5-pyrrolidin-2-yltetrazole
SMILESFc1cc(F)cc(-n2nnc(C3CCCN3)n2)c1
InChIInChI=1S/C11H11F2N5/c12-7-4-8(13)6-9(5-7)18-16-11(15-17-18)10-2-1-3-14-10/h4-6,10,14H,1-3H2
InChIKeyMTAAITZTQDCAKC-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.37
Rot. Bonds2

About 2-(3,5-difluorophenyl)-5-pyrrolidin-2-yltetrazole

2-(3,5-difluorophenyl)-5-pyrrolidin-2-yltetrazole (PubChem CID 70317462) has the molecular formula C11H11F2N5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-5-pyrrolidin-2-yltetrazole.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-5-pyrrolidin-2-yltetrazole
PubChem CID70317462
Molecular FormulaC11H11F2N5
Molecular Weight251.24 g/mol
Exact Mass251.10
IUPAC Name2-(3,5-difluorophenyl)-5-pyrrolidin-2-yltetrazole
SMILESFc1cc(F)cc(-n2nnc(C3CCCN3)n2)c1
InChIInChI=1S/C11H11F2N5/c12-7-4-8(13)6-9(5-7)18-16-11(15-17-18)10-2-1-3-14-10/h4-6,10,14H,1-3H2
InChIKeyMTAAITZTQDCAKC-UHFFFAOYSA-N
XLogP1.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-5-pyrrolidin-2-yltetrazole?
The IUPAC name of 2-(3,5-difluorophenyl)-5-pyrrolidin-2-yltetrazole (CID 70317462) is 2-(3,5-difluorophenyl)-5-pyrrolidin-2-yltetrazole.
What is the SMILES notation for 2-(3,5-difluorophenyl)-5-pyrrolidin-2-yltetrazole?
The canonical SMILES for 2-(3,5-difluorophenyl)-5-pyrrolidin-2-yltetrazole is Fc1cc(F)cc(-n2nnc(C3CCCN3)n2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-5-pyrrolidin-2-yltetrazole?
The InChIKey is MTAAITZTQDCAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5/c12-7-4-8(13)6-9(5-7)18-16-11(15-17-18)10-2-1-3-14-10/h4-6,10,14H,1-3H2.
What are the key properties of 2-(3,5-difluorophenyl)-5-pyrrolidin-2-yltetrazole?
2-(3,5-difluorophenyl)-5-pyrrolidin-2-yltetrazole has a molecular weight of 251.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-5-pyrrolidin-2-yltetrazole is sourced from PubChem (CID 70317462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).