[1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine

C14H19F3N4 — CID 105250081

IUPAC[1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1cccc(C(F)(F)F)c1)C1CN2CCN1CC2
InChIInChI=1S/C14H19F3N4/c15-14(16,17)11-3-1-2-10(8-11)13(19-18)12-9-20-4-6-21(12)7-5-20/h1-3,8,12-13,19H,4-7,9,18H2
InChIKeyCPYIVAFPMGARQA-UHFFFAOYSA-N
MW300.33 g/mol
LogP1.21
Rot. Bonds3

About [1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine

[1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 105250081) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is [1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID105250081
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC Name[1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1cccc(C(F)(F)F)c1)C1CN2CCN1CC2
InChIInChI=1S/C14H19F3N4/c15-14(16,17)11-3-1-2-10(8-11)13(19-18)12-9-20-4-6-21(12)7-5-20/h1-3,8,12-13,19H,4-7,9,18H2
InChIKeyCPYIVAFPMGARQA-UHFFFAOYSA-N
XLogP1.21
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 51.21
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

[1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine
CID 105249950
[(1,4-dimethylpiperazin-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105247407
[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193820
[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193958
[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 53402398
[(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249906
[(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 103347136
[1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105250125
[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105192836
N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43195070
(2S)-2-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octane
CID 141223568
2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79188682

Frequently Asked Questions

What is the IUPAC name of [1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine (CID 105250081) is [1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine is NNC(c1cccc(C(F)(F)F)c1)C1CN2CCN1CC2.
What is the InChIKey of [1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is CPYIVAFPMGARQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c15-14(16,17)11-3-1-2-10(8-11)13(19-18)12-9-20-4-6-21(12)7-5-20/h1-3,8,12-13,19H,4-7,9,18H2.
What are the key properties of [1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
[1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 300.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 105250081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).