[1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine

C8H15F3N2O2 — CID 105313832

IUPAC[1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1COCCO1
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)2-1-6(13-12)7-5-14-3-4-15-7/h6-7,13H,1-5,12H2
InChIKeyQAVXWQIBKDMNRL-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.58
Rot. Bonds4

About [1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine

[1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine (PubChem CID 105313832) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is [1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine.

Molecular Properties

Compound Name[1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine
PubChem CID105313832
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name[1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1COCCO1
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)2-1-6(13-12)7-5-14-3-4-15-7/h6-7,13H,1-5,12H2
InChIKeyQAVXWQIBKDMNRL-UHFFFAOYSA-N
XLogP0.58
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.58
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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Frequently Asked Questions

What is the IUPAC name of [1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine?
The IUPAC name of [1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine (CID 105313832) is [1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine.
What is the SMILES notation for [1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine?
The canonical SMILES for [1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine is NNC(CCC(F)(F)F)C1COCCO1.
What is the InChIKey of [1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine?
The InChIKey is QAVXWQIBKDMNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c9-8(10,11)2-1-6(13-12)7-5-14-3-4-15-7/h6-7,13H,1-5,12H2.
What are the key properties of [1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine?
[1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine has a molecular weight of 228.21 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine is sourced from PubChem (CID 105313832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).