[1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine

C10H19F3N2O2 — CID 103217401

IUPAC[1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
SMILESNNC(COCC(F)(F)F)CC1CCOCC1
InChIInChI=1S/C10H19F3N2O2/c11-10(12,13)7-17-6-9(15-14)5-8-1-3-16-4-2-8/h8-9,15H,1-7,14H2
InChIKeyCYTNTUASLHXYMH-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.21
Rot. Bonds6

About [1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine

[1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine (PubChem CID 103217401) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is [1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
PubChem CID103217401
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name[1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
SMILESNNC(COCC(F)(F)F)CC1CCOCC1
InChIInChI=1S/C10H19F3N2O2/c11-10(12,13)7-17-6-9(15-14)5-8-1-3-16-4-2-8/h8-9,15H,1-7,14H2
InChIKeyCYTNTUASLHXYMH-UHFFFAOYSA-N
XLogP1.21
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
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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Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The IUPAC name of [1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine (CID 103217401) is [1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The canonical SMILES for [1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine is NNC(COCC(F)(F)F)CC1CCOCC1.
What is the InChIKey of [1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The InChIKey is CYTNTUASLHXYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c11-10(12,13)7-17-6-9(15-14)5-8-1-3-16-4-2-8/h8-9,15H,1-7,14H2.
What are the key properties of [1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
[1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine has a molecular weight of 256.27 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine is sourced from PubChem (CID 103217401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).