[1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

C11H21F3N2O2 — CID 103151558

IUPAC[1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)(F)F)CC1CCOCC1
InChIInChI=1S/C11H21F3N2O2/c12-11(13,14)8-18-6-3-10(16-15)7-9-1-4-17-5-2-9/h9-10,16H,1-8,15H2
InChIKeyVUNAUYGLTRNAEU-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.60
Rot. Bonds7

About [1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

[1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (PubChem CID 103151558) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is [1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
PubChem CID103151558
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name[1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)(F)F)CC1CCOCC1
InChIInChI=1S/C11H21F3N2O2/c12-11(13,14)8-18-6-3-10(16-15)7-9-1-4-17-5-2-9/h9-10,16H,1-8,15H2
InChIKeyVUNAUYGLTRNAEU-UHFFFAOYSA-N
XLogP1.60
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148122
4-(2,2-Difluoroethoxy)-1-(oxan-4-yl)butan-2-amine
CID 103149018
[5-Methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151447
[1-Cyclopropyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151457
[1-Cyclobutyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151497
[1-Cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151501
[1-Cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151504
[1-(5-Oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151509
[5-Ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine
CID 103151536
[1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151539
[1-(6-Oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151562
[5-Ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151573

Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (CID 103151558) is [1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is NNC(CCOCC(F)(F)F)CC1CCOCC1.
What is the InChIKey of [1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The InChIKey is VUNAUYGLTRNAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c12-11(13,14)8-18-6-3-10(16-15)7-9-1-4-17-5-2-9/h9-10,16H,1-8,15H2.
What are the key properties of [1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
[1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine has a molecular weight of 270.29 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 103151558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).