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

C8H12F2N4 — CID 118121105

IUPAC8-(azidomethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILES[N-]=[N+]=NCC12CCCN1CC(F)(F)C2
InChIInChI=1S/C8H12F2N4/c9-8(10)4-7(5-12-13-11)2-1-3-14(7)6-8/h1-6H2
InChIKeySGUYGACDWASKJJ-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.17
Rot. Bonds2

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

8-(azidomethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 118121105) has the molecular formula C8H12F2N4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 8-(azidomethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name8-(azidomethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID118121105
Molecular FormulaC8H12F2N4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name8-(azidomethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILES[N-]=[N+]=NCC12CCCN1CC(F)(F)C2
InChIInChI=1S/C8H12F2N4/c9-8(10)4-7(5-12-13-11)2-1-3-14(7)6-8/h1-6H2
InChIKeySGUYGACDWASKJJ-UHFFFAOYSA-N
XLogP2.17
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(azidomethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 8-(azidomethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 118121105) is 8-(azidomethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 8-(azidomethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 8-(azidomethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine is [N-]=[N+]=NCC12CCCN1CC(F)(F)C2.
What is the InChIKey of 8-(azidomethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is SGUYGACDWASKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4/c9-8(10)4-7(5-12-13-11)2-1-3-14(7)6-8/h1-6H2.
What are the key properties of 8-(azidomethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine?
8-(azidomethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 202.21 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(azidomethyl)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 118121105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).