1-(2-azido-6-fluorophenyl)pyrrolidine

C10H11FN4 — CID 150063354

IUPAC1-(2-azido-6-fluorophenyl)pyrrolidine
SMILES[N-]=[N+]=Nc1cccc(F)c1N1CCCC1
InChIInChI=1S/C10H11FN4/c11-8-4-3-5-9(13-14-12)10(8)15-6-1-2-7-15/h3-5H,1-2,6-7H2
InChIKeyDNTGGCWHAQYYAM-UHFFFAOYSA-N
MW206.22 g/mol
LogP3.37
Rot. Bonds2

About 1-(2-azido-6-fluorophenyl)pyrrolidine

1-(2-azido-6-fluorophenyl)pyrrolidine (PubChem CID 150063354) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-(2-azido-6-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-azido-6-fluorophenyl)pyrrolidine
PubChem CID150063354
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name1-(2-azido-6-fluorophenyl)pyrrolidine
SMILES[N-]=[N+]=Nc1cccc(F)c1N1CCCC1
InChIInChI=1S/C10H11FN4/c11-8-4-3-5-9(13-14-12)10(8)15-6-1-2-7-15/h3-5H,1-2,6-7H2
InChIKeyDNTGGCWHAQYYAM-UHFFFAOYSA-N
XLogP3.37
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 53.37
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 1-(2-azido-6-fluorophenyl)pyrrolidine?
The IUPAC name of 1-(2-azido-6-fluorophenyl)pyrrolidine (CID 150063354) is 1-(2-azido-6-fluorophenyl)pyrrolidine.
What is the SMILES notation for 1-(2-azido-6-fluorophenyl)pyrrolidine?
The canonical SMILES for 1-(2-azido-6-fluorophenyl)pyrrolidine is [N-]=[N+]=Nc1cccc(F)c1N1CCCC1.
What is the InChIKey of 1-(2-azido-6-fluorophenyl)pyrrolidine?
The InChIKey is DNTGGCWHAQYYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c11-8-4-3-5-9(13-14-12)10(8)15-6-1-2-7-15/h3-5H,1-2,6-7H2.
What are the key properties of 1-(2-azido-6-fluorophenyl)pyrrolidine?
1-(2-azido-6-fluorophenyl)pyrrolidine has a molecular weight of 206.22 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azido-6-fluorophenyl)pyrrolidine is sourced from PubChem (CID 150063354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).