2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide

C7H14F3N3O2 — CID 107493147

IUPAC2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide
SMILESCC(C(=O)NN)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O2/c1-5(6(15)12-11)13(2-3-14)4-7(8,9)10/h5,14H,2-4,11H2,1H3,(H,12,15)
InChIKeyQTLDJXDIOLMVAQ-UHFFFAOYSA-N
MW229.20 g/mol
LogP-0.78
Rot. Bonds5

About 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide (PubChem CID 107493147) has the molecular formula C7H14F3N3O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide
PubChem CID107493147
Molecular FormulaC7H14F3N3O2
Molecular Weight229.20 g/mol
Exact Mass229.10
IUPAC Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide
SMILESCC(C(=O)NN)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O2/c1-5(6(15)12-11)13(2-3-14)4-7(8,9)10/h5,14H,2-4,11H2,1H3,(H,12,15)
InChIKeyQTLDJXDIOLMVAQ-UHFFFAOYSA-N
XLogP-0.78
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-0.78
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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Related Compounds

N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide
CID 107485792
ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 107480919
3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide
CID 79409219
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one
CID 107481265
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide
CID 107494666
2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetohydrazide
CID 63584107
2-[bis(2-methylpropyl)amino]propanehydrazide
CID 63585398
2-[bis(2-hydroxyethyl)amino]butanehydrazide
CID 63573033
2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide
CID 60686797
3-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63585782
2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107478931
3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide
CID 63585174

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide?
The IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide (CID 107493147) is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide.
What is the SMILES notation for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide?
The canonical SMILES for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide is CC(C(=O)NN)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide?
The InChIKey is QTLDJXDIOLMVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2/c1-5(6(15)12-11)13(2-3-14)4-7(8,9)10/h5,14H,2-4,11H2,1H3,(H,12,15).
What are the key properties of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide?
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide has a molecular weight of 229.20 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide is sourced from PubChem (CID 107493147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).