2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide

C9H18F3N3O — CID 63584480

IUPAC2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCCCN(CC(F)(F)F)C(CC)C(=O)NN
InChIInChI=1S/C9H18F3N3O/c1-3-5-15(6-9(10,11)12)7(4-2)8(16)14-13/h7H,3-6,13H2,1-2H3,(H,14,16)
InChIKeyFGUXTBWOYAPBCH-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.03
Rot. Bonds6

About 2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide

2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide (PubChem CID 63584480) has the molecular formula C9H18F3N3O and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide.

Molecular Properties

Compound Name2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
PubChem CID63584480
Molecular FormulaC9H18F3N3O
Molecular Weight241.26 g/mol
Exact Mass241.14
IUPAC Name2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCCCN(CC(F)(F)F)C(CC)C(=O)NN
InChIInChI=1S/C9H18F3N3O/c1-3-5-15(6-9(10,11)12)7(4-2)8(16)14-13/h7H,3-6,13H2,1-2H3,(H,14,16)
InChIKeyFGUXTBWOYAPBCH-UHFFFAOYSA-N
XLogP1.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.03
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

N-[1-(2-acetylhydrazinyl)-1-oxobutan-2-yl]-N-ethylcarbamoyl fluoride
CID 145324111
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanehydrazide
CID 55212865
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide
CID 62900468
2-[Propyl(2,2,2-trifluoroethyl)amino]butanamide
CID 62900855
4-[Methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide
CID 63572592
3-[Methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63572593
2-[Methyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 63573903
2-[Methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63574092
3-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63574282
4-[Ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63583000
2-[Ethyl(2,2,2-trifluoroethyl)amino]-3-methylbutanehydrazide
CID 63583001
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 63583924

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The IUPAC name of 2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide (CID 63584480) is 2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide.
What is the SMILES notation for 2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The canonical SMILES for 2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide is CCCN(CC(F)(F)F)C(CC)C(=O)NN.
What is the InChIKey of 2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The InChIKey is FGUXTBWOYAPBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O/c1-3-5-15(6-9(10,11)12)7(4-2)8(16)14-13/h7H,3-6,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide has a molecular weight of 241.26 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide is sourced from PubChem (CID 63584480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).