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

C8H17F2N3O2 — CID 107493119

IUPAC3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(CCO)CC(F)F
InChIInChI=1S/C8H17F2N3O2/c1-6(4-8(15)12-11)13(2-3-14)5-7(9)10/h6-7,14H,2-5,11H2,1H3,(H,12,15)
InChIKeyFNCXNUKEHHMAPV-UHFFFAOYSA-N
MW225.24 g/mol
LogP-0.69
Rot. Bonds7

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

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanehydrazide (PubChem CID 107493119) has the molecular formula C8H17F2N3O2 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanehydrazide
PubChem CID107493119
Molecular FormulaC8H17F2N3O2
Molecular Weight225.24 g/mol
Exact Mass225.13
IUPAC Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(CCO)CC(F)F
InChIInChI=1S/C8H17F2N3O2/c1-6(4-8(15)12-11)13(2-3-14)5-7(9)10/h6-7,14H,2-5,11H2,1H3,(H,12,15)
InChIKeyFNCXNUKEHHMAPV-UHFFFAOYSA-N
XLogP-0.69
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-0.69
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-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanehydrazide?
The IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanehydrazide (CID 107493119) is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanehydrazide.
What is the SMILES notation for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanehydrazide?
The canonical SMILES for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanehydrazide is CC(CC(=O)NN)N(CCO)CC(F)F.
What is the InChIKey of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanehydrazide?
The InChIKey is FNCXNUKEHHMAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O2/c1-6(4-8(15)12-11)13(2-3-14)5-7(9)10/h6-7,14H,2-5,11H2,1H3,(H,12,15).
What are the key properties of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanehydrazide?
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanehydrazide has a molecular weight of 225.24 g/mol, XLogP of -0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanehydrazide is sourced from PubChem (CID 107493119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).