2,2-difluoro-1,3,5,6-tetrahydropyrrolizine

C7H9F2N — CID 165405920

IUPAC2,2-difluoro-1,3,5,6-tetrahydropyrrolizine
SMILESFC1(F)CC2=CCCN2C1
InChIInChI=1S/C7H9F2N/c8-7(9)4-6-2-1-3-10(6)5-7/h2H,1,3-5H2
InChIKeyTXSYUDBPRZJRDH-UHFFFAOYSA-N
MW145.15 g/mol
LogP1.62
Rot. Bonds

About 2,2-difluoro-1,3,5,6-tetrahydropyrrolizine

2,2-difluoro-1,3,5,6-tetrahydropyrrolizine (PubChem CID 165405920) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 2,2-difluoro-1,3,5,6-tetrahydropyrrolizine.

Molecular Properties

Compound Name2,2-difluoro-1,3,5,6-tetrahydropyrrolizine
PubChem CID165405920
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name2,2-difluoro-1,3,5,6-tetrahydropyrrolizine
SMILESFC1(F)CC2=CCCN2C1
InChIInChI=1S/C7H9F2N/c8-7(9)4-6-2-1-3-10(6)5-7/h2H,1,3-5H2
InChIKeyTXSYUDBPRZJRDH-UHFFFAOYSA-N
XLogP1.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-1,3,5,6-tetrahydropyrrolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,3,5,6-tetrahydropyrrolizine?
The IUPAC name of 2,2-difluoro-1,3,5,6-tetrahydropyrrolizine (CID 165405920) is 2,2-difluoro-1,3,5,6-tetrahydropyrrolizine.
What is the SMILES notation for 2,2-difluoro-1,3,5,6-tetrahydropyrrolizine?
The canonical SMILES for 2,2-difluoro-1,3,5,6-tetrahydropyrrolizine is FC1(F)CC2=CCCN2C1.
What is the InChIKey of 2,2-difluoro-1,3,5,6-tetrahydropyrrolizine?
The InChIKey is TXSYUDBPRZJRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c8-7(9)4-6-2-1-3-10(6)5-7/h2H,1,3-5H2.
What are the key properties of 2,2-difluoro-1,3,5,6-tetrahydropyrrolizine?
2,2-difluoro-1,3,5,6-tetrahydropyrrolizine has a molecular weight of 145.15 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3,5,6-tetrahydropyrrolizine is sourced from PubChem (CID 165405920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).