3-methyl-1-(2,2,2-trifluoroethyl)pyrazolidine

C6H11F3N2 — CID 89130040

IUPAC3-methyl-1-(2,2,2-trifluoroethyl)pyrazolidine
SMILESCC1CCN(CC(F)(F)F)N1
InChIInChI=1S/C6H11F3N2/c1-5-2-3-11(10-5)4-6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyRSTHNFVDYTVQCT-UHFFFAOYSA-N
MW168.16 g/mol
LogP1.15
Rot. Bonds1

About 3-methyl-1-(2,2,2-trifluoroethyl)pyrazolidine

3-methyl-1-(2,2,2-trifluoroethyl)pyrazolidine (PubChem CID 89130040) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 3-methyl-1-(2,2,2-trifluoroethyl)pyrazolidine.

Molecular Properties

Compound Name3-methyl-1-(2,2,2-trifluoroethyl)pyrazolidine
PubChem CID89130040
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name3-methyl-1-(2,2,2-trifluoroethyl)pyrazolidine
SMILESCC1CCN(CC(F)(F)F)N1
InChIInChI=1S/C6H11F3N2/c1-5-2-3-11(10-5)4-6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyRSTHNFVDYTVQCT-UHFFFAOYSA-N
XLogP1.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,2-trifluoroethyl)pyrazolidine?
The IUPAC name of 3-methyl-1-(2,2,2-trifluoroethyl)pyrazolidine (CID 89130040) is 3-methyl-1-(2,2,2-trifluoroethyl)pyrazolidine.
What is the SMILES notation for 3-methyl-1-(2,2,2-trifluoroethyl)pyrazolidine?
The canonical SMILES for 3-methyl-1-(2,2,2-trifluoroethyl)pyrazolidine is CC1CCN(CC(F)(F)F)N1.
What is the InChIKey of 3-methyl-1-(2,2,2-trifluoroethyl)pyrazolidine?
The InChIKey is RSTHNFVDYTVQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2/c1-5-2-3-11(10-5)4-6(7,8)9/h5,10H,2-4H2,1H3.
What are the key properties of 3-methyl-1-(2,2,2-trifluoroethyl)pyrazolidine?
3-methyl-1-(2,2,2-trifluoroethyl)pyrazolidine has a molecular weight of 168.16 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-methyl-1-(2,2,2-trifluoroethyl)pyrazolidine is sourced from PubChem (CID 89130040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).