3-fluoro-1-methyl-5-propan-2-ylpyrazolidine

C7H15FN2 — CID 146393135

IUPAC3-fluoro-1-methyl-5-propan-2-ylpyrazolidine
SMILESCC(C)C1CC(F)NN1C
InChIInChI=1S/C7H15FN2/c1-5(2)6-4-7(8)9-10(6)3/h5-7,9H,4H2,1-3H3
InChIKeyZADUNXMLCODHOP-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.15
Rot. Bonds1

About 3-fluoro-1-methyl-5-propan-2-ylpyrazolidine

3-fluoro-1-methyl-5-propan-2-ylpyrazolidine (PubChem CID 146393135) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 3-fluoro-1-methyl-5-propan-2-ylpyrazolidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-5-propan-2-ylpyrazolidine
PubChem CID146393135
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name3-fluoro-1-methyl-5-propan-2-ylpyrazolidine
SMILESCC(C)C1CC(F)NN1C
InChIInChI=1S/C7H15FN2/c1-5(2)6-4-7(8)9-10(6)3/h5-7,9H,4H2,1-3H3
InChIKeyZADUNXMLCODHOP-UHFFFAOYSA-N
XLogP1.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-5-propan-2-ylpyrazolidine?
The IUPAC name of 3-fluoro-1-methyl-5-propan-2-ylpyrazolidine (CID 146393135) is 3-fluoro-1-methyl-5-propan-2-ylpyrazolidine.
What is the SMILES notation for 3-fluoro-1-methyl-5-propan-2-ylpyrazolidine?
The canonical SMILES for 3-fluoro-1-methyl-5-propan-2-ylpyrazolidine is CC(C)C1CC(F)NN1C.
What is the InChIKey of 3-fluoro-1-methyl-5-propan-2-ylpyrazolidine?
The InChIKey is ZADUNXMLCODHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-5(2)6-4-7(8)9-10(6)3/h5-7,9H,4H2,1-3H3.
What are the key properties of 3-fluoro-1-methyl-5-propan-2-ylpyrazolidine?
3-fluoro-1-methyl-5-propan-2-ylpyrazolidine has a molecular weight of 146.21 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-5-propan-2-ylpyrazolidine is sourced from PubChem (CID 146393135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).