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

C8H16F3N3O — CID 63574282

IUPAC3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCC(C)C(C(=O)NN)N(C)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-5(2)6(7(15)13-12)14(3)4-8(9,10)11/h5-6H,4,12H2,1-3H3,(H,13,15)
InChIKeyPLZNUNYGRWCCCH-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.50
Rot. Bonds4

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

3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide (PubChem CID 63574282) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
PubChem CID63574282
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC Name3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCC(C)C(C(=O)NN)N(C)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-5(2)6(7(15)13-12)14(3)4-8(9,10)11/h5-6H,4,12H2,1-3H3,(H,13,15)
InChIKeyPLZNUNYGRWCCCH-UHFFFAOYSA-N
XLogP0.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.50
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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Related Compounds

CID 17547
CID 17547
CID 145324111
CID 145324111
CID 63573903
CID 63573903
CID 63574092
CID 63574092
CID 63583001
CID 63583001
CID 63583925
CID 63583925
CID 63584109
CID 63584109
CID 63584288
CID 63584288
CID 63584291
CID 63584291
CID 63584452
CID 63584452
CID 63584471
CID 63584471
CID 63584472
CID 63584472

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The IUPAC name of 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide (CID 63574282) is 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide.
What is the SMILES notation for 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The canonical SMILES for 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide is CC(C)C(C(=O)NN)N(C)CC(F)(F)F.
What is the InChIKey of 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The InChIKey is PLZNUNYGRWCCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-5(2)6(7(15)13-12)14(3)4-8(9,10)11/h5-6H,4,12H2,1-3H3,(H,13,15).
What are the key properties of 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide has a molecular weight of 227.23 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide is sourced from PubChem (CID 63574282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).