6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

C11H19F2N — CID 166984389

IUPAC6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)CC12CCCN1CC(F)(F)C2
InChIInChI=1S/C11H19F2N/c1-9(2)6-10-4-3-5-14(10)8-11(12,13)7-10/h9H,3-8H2,1-2H3
InChIKeyYHXDNPDGVFRBBB-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.91
Rot. Bonds2

About 6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 166984389) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID166984389
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)CC12CCCN1CC(F)(F)C2
InChIInChI=1S/C11H19F2N/c1-9(2)6-10-4-3-5-14(10)8-11(12,13)7-10/h9H,3-8H2,1-2H3
InChIKeyYHXDNPDGVFRBBB-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine 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 6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 166984389) is 6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is CC(C)CC12CCCN1CC(F)(F)C2.
What is the InChIKey of 6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is YHXDNPDGVFRBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-9(2)6-10-4-3-5-14(10)8-11(12,13)7-10/h9H,3-8H2,1-2H3.
What are the key properties of 6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 203.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 166984389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).