1-methyl-3-(trifluoromethyl)pyrazolidine

C5H9F3N2 — CID 91042165

IUPAC1-methyl-3-(trifluoromethyl)pyrazolidine
SMILESCN1CCC(C(F)(F)F)N1
InChIInChI=1S/C5H9F3N2/c1-10-3-2-4(9-10)5(6,7)8/h4,9H,2-3H2,1H3
InChIKeyOCCCFGZUVXCWJU-UHFFFAOYSA-N
MW154.13 g/mol
LogP0.76
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)pyrazolidine

1-methyl-3-(trifluoromethyl)pyrazolidine (PubChem CID 91042165) has the molecular formula C5H9F3N2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)pyrazolidine.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)pyrazolidine
PubChem CID91042165
Molecular FormulaC5H9F3N2
Molecular Weight154.13 g/mol
Exact Mass154.07
IUPAC Name1-methyl-3-(trifluoromethyl)pyrazolidine
SMILESCN1CCC(C(F)(F)F)N1
InChIInChI=1S/C5H9F3N2/c1-10-3-2-4(9-10)5(6,7)8/h4,9H,2-3H2,1H3
InChIKeyOCCCFGZUVXCWJU-UHFFFAOYSA-N
XLogP0.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)pyrazolidine?
The IUPAC name of 1-methyl-3-(trifluoromethyl)pyrazolidine (CID 91042165) is 1-methyl-3-(trifluoromethyl)pyrazolidine.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)pyrazolidine?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)pyrazolidine is CN1CCC(C(F)(F)F)N1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)pyrazolidine?
The InChIKey is OCCCFGZUVXCWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2/c1-10-3-2-4(9-10)5(6,7)8/h4,9H,2-3H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)pyrazolidine?
1-methyl-3-(trifluoromethyl)pyrazolidine has a molecular weight of 154.13 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)pyrazolidine is sourced from PubChem (CID 91042165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).