3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide

C8H16F3N3O2 — CID 107493159

IUPAC3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O2/c1-6(4-7(16)13-12)14(2-3-15)5-8(9,10)11/h6,15H,2-5,12H2,1H3,(H,13,16)
InChIKeyLNENBHVKYLCALZ-UHFFFAOYSA-N
MW243.23 g/mol
LogP-0.39
Rot. Bonds6

About 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide

3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide (PubChem CID 107493159) has the molecular formula C8H16F3N3O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide
PubChem CID107493159
Molecular FormulaC8H16F3N3O2
Molecular Weight243.23 g/mol
Exact Mass243.12
IUPAC Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O2/c1-6(4-7(16)13-12)14(2-3-15)5-8(9,10)11/h6,15H,2-5,12H2,1H3,(H,13,16)
InChIKeyLNENBHVKYLCALZ-UHFFFAOYSA-N
XLogP-0.39
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide (CID 107493159) is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide.
What is the SMILES notation for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The canonical SMILES for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide is CC(CC(=O)NN)N(CCO)CC(F)(F)F.
What is the InChIKey of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The InChIKey is LNENBHVKYLCALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2/c1-6(4-7(16)13-12)14(2-3-15)5-8(9,10)11/h6,15H,2-5,12H2,1H3,(H,13,16).
What are the key properties of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide has a molecular weight of 243.23 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide is sourced from PubChem (CID 107493159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).