2-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]tetrazole

C11H11F2N5 — CID 91375851

IUPAC2-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]tetrazole
SMILESFc1cccc(F)c1N1CCC(n2ncnn2)C1
InChIInChI=1S/C11H11F2N5/c12-9-2-1-3-10(13)11(9)17-5-4-8(6-17)18-15-7-14-16-18/h1-3,7-8H,4-6H2
InChIKeyDZFNIBYCPGLGQS-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.40
Rot. Bonds2

About 2-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]tetrazole

2-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]tetrazole (PubChem CID 91375851) has the molecular formula C11H11F2N5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]tetrazole.

Molecular Properties

Compound Name2-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]tetrazole
PubChem CID91375851
Molecular FormulaC11H11F2N5
Molecular Weight251.24 g/mol
Exact Mass251.10
IUPAC Name2-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]tetrazole
SMILESFc1cccc(F)c1N1CCC(n2ncnn2)C1
InChIInChI=1S/C11H11F2N5/c12-9-2-1-3-10(13)11(9)17-5-4-8(6-17)18-15-7-14-16-18/h1-3,7-8H,4-6H2
InChIKeyDZFNIBYCPGLGQS-UHFFFAOYSA-N
XLogP1.40
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]tetrazole?
The IUPAC name of 2-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]tetrazole (CID 91375851) is 2-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]tetrazole.
What is the SMILES notation for 2-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]tetrazole?
The canonical SMILES for 2-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]tetrazole is Fc1cccc(F)c1N1CCC(n2ncnn2)C1.
What is the InChIKey of 2-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]tetrazole?
The InChIKey is DZFNIBYCPGLGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5/c12-9-2-1-3-10(13)11(9)17-5-4-8(6-17)18-15-7-14-16-18/h1-3,7-8H,4-6H2.
What are the key properties of 2-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]tetrazole?
2-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]tetrazole has a molecular weight of 251.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]tetrazole is sourced from PubChem (CID 91375851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).