3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine

C11H11F3N2O2 — CID 71650916

IUPAC3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine
SMILESFC(F)(F)C1CC(c2ccc3c(c2)OCO3)NN1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)10-4-7(15-16-10)6-1-2-8-9(3-6)18-5-17-8/h1-3,7,10,15-16H,4-5H2
InChIKeyGXVMGJUBSMPZNW-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.89
Rot. Bonds1

About 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine

3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine (PubChem CID 71650916) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.22 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine
PubChem CID71650916
Molecular FormulaC11H11F3N2O2
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine
SMILESFC(F)(F)C1CC(c2ccc3c(c2)OCO3)NN1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)10-4-7(15-16-10)6-1-2-8-9(3-6)18-5-17-8/h1-3,7,10,15-16H,4-5H2
InChIKeyGXVMGJUBSMPZNW-UHFFFAOYSA-N
XLogP1.89
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxylate
CID 78292346
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine
CID 66328132
2-(1,3-benzodioxol-5-yl)piperazine
CID 2771771
(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 66519216
3-(1,3-benzodioxol-5-yl)-6-bromo-3,4-dihydro-2H-1,4-benzoxazine
CID 116837297
5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 2884374
3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-amine
CID 74796918
[2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol
CID 83918973
5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide
CID 75118909
2-(1,3-benzodioxol-5-yl)cyclopentane-1,3-dione
CID 121015997
[5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 134064271
(6S)-6-(1,3-benzodioxol-5-yl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 96544534

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine (CID 71650916) is 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine is FC(F)(F)C1CC(c2ccc3c(c2)OCO3)NN1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine?
The InChIKey is GXVMGJUBSMPZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)10-4-7(15-16-10)6-1-2-8-9(3-6)18-5-17-8/h1-3,7,10,15-16H,4-5H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine?
3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine has a molecular weight of 260.22 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)pyrazolidine is sourced from PubChem (CID 71650916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).