5-[methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide

C8H16F3N3O — CID 63571831

IUPAC5-[methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide
SMILESCN(CCCCC(=O)NN)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-14(6-8(9,10)11)5-3-2-4-7(15)13-12/h2-6,12H2,1H3,(H,13,15)
InChIKeyNOUHQTROYVWQRG-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.64
Rot. Bonds6

About 5-[methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide

5-[methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide (PubChem CID 63571831) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is 5-[methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide.

Molecular Properties

Compound Name5-[methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide
PubChem CID63571831
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC Name5-[methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide
SMILESCN(CCCCC(=O)NN)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-14(6-8(9,10)11)5-3-2-4-7(15)13-12/h2-6,12H2,1H3,(H,13,15)
InChIKeyNOUHQTROYVWQRG-UHFFFAOYSA-N
XLogP0.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[Methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide
CID 63572592
4-[Methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63574281
4-[Ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63583000
5-[Ethyl(2,2,2-trifluoroethyl)amino]pentanehydrazide
CID 63583365
4-[Ethyl(2,2,2-trifluoroethyl)amino]pentanehydrazide
CID 63584110
3-[Ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63584111
4-[Propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63584471
5-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pentanehydrazide
CID 63584826
5-[Propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide
CID 63584845
4-[Propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63584848
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]pentanehydrazide
CID 63585034
5-[Propyl(2,2,2-trifluoroethyl)amino]pentanehydrazide
CID 63585222

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide?
The IUPAC name of 5-[methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide (CID 63571831) is 5-[methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide.
What is the SMILES notation for 5-[methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide?
The canonical SMILES for 5-[methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide is CN(CCCCC(=O)NN)CC(F)(F)F.
What is the InChIKey of 5-[methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide?
The InChIKey is NOUHQTROYVWQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-14(6-8(9,10)11)5-3-2-4-7(15)13-12/h2-6,12H2,1H3,(H,13,15).
What are the key properties of 5-[methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide?
5-[methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide has a molecular weight of 227.23 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2,2,2-trifluoroethyl)amino]pentanehydrazide is sourced from PubChem (CID 63571831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).