2-methyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]butanehydrazide

C10H18F3N3O — CID 114272054

IUPAC2-methyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]butanehydrazide
SMILESCC(C(=O)NN)C(C)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O/c1-6(9(17)15-14)7(2)16-4-3-8(5-16)10(11,12)13/h6-8H,3-5,14H2,1-2H3,(H,15,17)
InChIKeyZSXFUBHDIRYKGE-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.89
Rot. Bonds3

About 2-methyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]butanehydrazide

2-methyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]butanehydrazide (PubChem CID 114272054) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-methyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]butanehydrazide.

Molecular Properties

Compound Name2-methyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]butanehydrazide
PubChem CID114272054
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-methyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]butanehydrazide
SMILESCC(C(=O)NN)C(C)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O/c1-6(9(17)15-14)7(2)16-4-3-8(5-16)10(11,12)13/h6-8H,3-5,14H2,1-2H3,(H,15,17)
InChIKeyZSXFUBHDIRYKGE-UHFFFAOYSA-N
XLogP0.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.89
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 2-methyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]butanehydrazide?
The IUPAC name of 2-methyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]butanehydrazide (CID 114272054) is 2-methyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]butanehydrazide.
What is the SMILES notation for 2-methyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]butanehydrazide?
The canonical SMILES for 2-methyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]butanehydrazide is CC(C(=O)NN)C(C)N1CCC(C(F)(F)F)C1.
What is the InChIKey of 2-methyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]butanehydrazide?
The InChIKey is ZSXFUBHDIRYKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-6(9(17)15-14)7(2)16-4-3-8(5-16)10(11,12)13/h6-8H,3-5,14H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]butanehydrazide?
2-methyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]butanehydrazide has a molecular weight of 253.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]butanehydrazide is sourced from PubChem (CID 114272054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).