[2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine

C13H18F3N3O — CID 105298819

IUPAC[2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
SMILESNNC(CC1CCOCC1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)10-1-2-11(18-8-10)12(19-17)7-9-3-5-20-6-4-9/h1-2,8-9,12,19H,3-7,17H2
InChIKeyDGIVDPMOEKZDGW-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.42
Rot. Bonds4

About [2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine

[2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine (PubChem CID 105298819) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is [2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine.

Molecular Properties

Compound Name[2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
PubChem CID105298819
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name[2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
SMILESNNC(CC1CCOCC1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)10-1-2-11(18-8-10)12(19-17)7-9-3-5-20-6-4-9/h1-2,8-9,12,19H,3-7,17H2
InChIKeyDGIVDPMOEKZDGW-UHFFFAOYSA-N
XLogP2.42
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.42
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

[2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105311054
[2-cyclopentyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105299053
2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 112693374
1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-enylhydrazine
CID 105311544
1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine
CID 105307862
[1-(5-bromo-2-pyridinyl)-2-cyclobutylethyl]hydrazine
CID 105267791
[1-[2-methyl-4-(trifluoromethyl)phenyl]-2-(oxolan-3-yl)ethyl]hydrazine
CID 102759720
[1-(5-chloro-2-pyridinyl)-2-cyclohexylethyl]hydrazine
CID 105251419
1-[5-(trifluoromethyl)-2-pyridinyl]nonylhydrazine
CID 105294404
[3-phenyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]hydrazine
CID 105285864
[1-(1-methylpyrazol-3-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105228609
[2-(2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105284705

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine?
The IUPAC name of [2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine (CID 105298819) is [2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine.
What is the SMILES notation for [2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine?
The canonical SMILES for [2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine is NNC(CC1CCOCC1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of [2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine?
The InChIKey is DGIVDPMOEKZDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)10-1-2-11(18-8-10)12(19-17)7-9-3-5-20-6-4-9/h1-2,8-9,12,19H,3-7,17H2.
What are the key properties of [2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine?
[2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine has a molecular weight of 289.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine is sourced from PubChem (CID 105298819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).