4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine

C8H14F2N4 — CID 174763453

IUPAC4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CC(N=[N+]=[N-])C(F)(F)C1
InChIInChI=1S/C8H14F2N4/c1-6(2)3-14-4-7(12-13-11)8(9,10)5-14/h6-7H,3-5H2,1-2H3
InChIKeyNUDLPIOVEXXISB-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.27
Rot. Bonds3

About 4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine

4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine (PubChem CID 174763453) has the molecular formula C8H14F2N4 and a molecular weight of 204.22 g/mol. Its IUPAC name is 4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine
PubChem CID174763453
Molecular FormulaC8H14F2N4
Molecular Weight204.22 g/mol
Exact Mass204.12
IUPAC Name4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CC(N=[N+]=[N-])C(F)(F)C1
InChIInChI=1S/C8H14F2N4/c1-6(2)3-14-4-7(12-13-11)8(9,10)5-14/h6-7H,3-5H2,1-2H3
InChIKeyNUDLPIOVEXXISB-UHFFFAOYSA-N
XLogP2.27
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.27
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 4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine?
The IUPAC name of 4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine (CID 174763453) is 4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine is CC(C)CN1CC(N=[N+]=[N-])C(F)(F)C1.
What is the InChIKey of 4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine?
The InChIKey is NUDLPIOVEXXISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4/c1-6(2)3-14-4-7(12-13-11)8(9,10)5-14/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine?
4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine has a molecular weight of 204.22 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-3,3-difluoro-1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 174763453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).