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

C7H14F3N3O — CID 63572593

IUPAC3-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-5(3-6(14)12-11)13(2)4-7(8,9)10/h5H,3-4,11H2,1-2H3,(H,12,14)
InChIKeyFVROPOOOGGNFID-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.25
Rot. Bonds4

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

3-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide (PubChem CID 63572593) has the molecular formula C7H14F3N3O and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
PubChem CID63572593
Molecular FormulaC7H14F3N3O
Molecular Weight213.20 g/mol
Exact Mass213.11
IUPAC Name3-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-5(3-6(14)12-11)13(2)4-7(8,9)10/h5H,3-4,11H2,1-2H3,(H,12,14)
InChIKeyFVROPOOOGGNFID-UHFFFAOYSA-N
XLogP0.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide (CID 63572593) is 3-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide.
What is the SMILES notation for 3-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The canonical SMILES for 3-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide is CC(CC(=O)NN)N(C)CC(F)(F)F.
What is the InChIKey of 3-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The InChIKey is FVROPOOOGGNFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O/c1-5(3-6(14)12-11)13(2)4-7(8,9)10/h5H,3-4,11H2,1-2H3,(H,12,14).
What are the key properties of 3-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
3-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide has a molecular weight of 213.20 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide is sourced from PubChem (CID 63572593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).