1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine

C7H12F2N4 — CID 121201139

IUPAC1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine
SMILES[N-]=[N+]=NCCN1CCC(C(F)F)C1
InChIInChI=1S/C7H12F2N4/c8-7(9)6-1-3-13(5-6)4-2-11-12-10/h6-7H,1-5H2
InChIKeyAEUVNAPEQZPMKW-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.88
Rot. Bonds4

About 1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine

1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine (PubChem CID 121201139) has the molecular formula C7H12F2N4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine
PubChem CID121201139
Molecular FormulaC7H12F2N4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine
SMILES[N-]=[N+]=NCCN1CCC(C(F)F)C1
InChIInChI=1S/C7H12F2N4/c8-7(9)6-1-3-13(5-6)4-2-11-12-10/h6-7H,1-5H2
InChIKeyAEUVNAPEQZPMKW-UHFFFAOYSA-N
XLogP1.88
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.88
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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Related Compounds

(3S)-1-(2-azidoethyl)-3-(fluoromethyl)pyrrolidine
CID 129495684
1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol
CID 112628115
(3S)-1-butyl-3-(difluoromethyl)pyrrolidine
CID 175738561
(3R)-3-(difluoromethyl)-1-ethylpyrrolidine
CID 130339062
1-(2-azidoethyl)-4-methylpiperidine
CID 61396689
4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine
CID 63171226
5-(2-azidoethyl)-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione
CID 121204508
1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine
CID 121202516
2-(2-azidoethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63150601
1-(2-azidoethyl)-4-ethylpiperazine
CID 61396790
2-[1-(2-azidoethyl)piperidin-4-yl]ethanamine
CID 177052593
2-[1-(2-azidoethyl)piperidin-4-yl]ethanol
CID 121201308

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine?
The IUPAC name of 1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine (CID 121201139) is 1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine.
What is the SMILES notation for 1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine?
The canonical SMILES for 1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine is [N-]=[N+]=NCCN1CCC(C(F)F)C1.
What is the InChIKey of 1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine?
The InChIKey is AEUVNAPEQZPMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4/c8-7(9)6-1-3-13(5-6)4-2-11-12-10/h6-7H,1-5H2.
What are the key properties of 1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine?
1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine has a molecular weight of 190.20 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine is sourced from PubChem (CID 121201139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).