2,2-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]propanehydrazide

C10H18F3N3O — CID 114272055

IUPAC2,2-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]propanehydrazide
SMILESCC(C)(CN1CCC(C(F)(F)F)C1)C(=O)NN
InChIInChI=1S/C10H18F3N3O/c1-9(2,8(17)15-14)6-16-4-3-7(5-16)10(11,12)13/h7H,3-6,14H2,1-2H3,(H,15,17)
InChIKeyHILQUVOFIVQTDW-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.89
Rot. Bonds3

About 2,2-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]propanehydrazide

2,2-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]propanehydrazide (PubChem CID 114272055) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]propanehydrazide
PubChem CID114272055
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2,2-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]propanehydrazide
SMILESCC(C)(CN1CCC(C(F)(F)F)C1)C(=O)NN
InChIInChI=1S/C10H18F3N3O/c1-9(2,8(17)15-14)6-16-4-3-7(5-16)10(11,12)13/h7H,3-6,14H2,1-2H3,(H,15,17)
InChIKeyHILQUVOFIVQTDW-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 2,2-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]propanehydrazide (CID 114272055) is 2,2-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]propanehydrazide is CC(C)(CN1CCC(C(F)(F)F)C1)C(=O)NN.
What is the InChIKey of 2,2-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]propanehydrazide?
The InChIKey is HILQUVOFIVQTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-9(2,8(17)15-14)6-16-4-3-7(5-16)10(11,12)13/h7H,3-6,14H2,1-2H3,(H,15,17).
What are the key properties of 2,2-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]propanehydrazide?
2,2-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]propanehydrazide 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 2,2-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]propanehydrazide is sourced from PubChem (CID 114272055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).