[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine

C11H21F3N4 — CID 105249934

IUPAC[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine
SMILESNNC(CCCC(F)(F)F)C1CN2CCN1CC2
InChIInChI=1S/C11H21F3N4/c12-11(13,14)3-1-2-9(16-15)10-8-17-4-6-18(10)7-5-17/h9-10,16H,1-8,15H2
InChIKeyUYMVIVNHKROGGI-UHFFFAOYSA-N
MW266.31 g/mol
LogP0.55
Rot. Bonds5

About [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine

[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine (PubChem CID 105249934) has the molecular formula C11H21F3N4 and a molecular weight of 266.31 g/mol. Its IUPAC name is [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine.

Molecular Properties

Compound Name[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine
PubChem CID105249934
Molecular FormulaC11H21F3N4
Molecular Weight266.31 g/mol
Exact Mass266.17
IUPAC Name[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine
SMILESNNC(CCCC(F)(F)F)C1CN2CCN1CC2
InChIInChI=1S/C11H21F3N4/c12-11(13,14)3-1-2-9(16-15)10-8-17-4-6-18(10)7-5-17/h9-10,16H,1-8,15H2
InChIKeyUYMVIVNHKROGGI-UHFFFAOYSA-N
XLogP0.55
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pentylhydrazine
CID 105249829
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine
CID 105249868
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine
CID 107012569
(1-cyclopentyl-5,5,5-trifluoropentyl)hydrazine
CID 105204331
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105249872
[5,5,5-trifluoro-1-(oxan-3-yl)pentyl]hydrazine
CID 105229920
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105249842
[5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine
CID 105259546
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105250055
[5,5,5-trifluoro-1-(2-methyloxolan-3-yl)pentyl]hydrazine
CID 105328910
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethylnonan-1-amine
CID 79973836
1,1,1,6,6,6-hexafluorohexan-2-ylhydrazine
CID 105215662

Frequently Asked Questions

What is the IUPAC name of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine?
The IUPAC name of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine (CID 105249934) is [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine.
What is the SMILES notation for [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine?
The canonical SMILES for [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine is NNC(CCCC(F)(F)F)C1CN2CCN1CC2.
What is the InChIKey of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine?
The InChIKey is UYMVIVNHKROGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4/c12-11(13,14)3-1-2-9(16-15)10-8-17-4-6-18(10)7-5-17/h9-10,16H,1-8,15H2.
What are the key properties of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine?
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine has a molecular weight of 266.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine is sourced from PubChem (CID 105249934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).