3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine

C7H12F3N — CID 133188472

IUPAC3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC1(CC(F)(F)F)CCNC1
InChIInChI=1S/C7H12F3N/c1-6(2-3-11-5-6)4-7(8,9)10/h11H,2-5H2,1H3
InChIKeyKWTRCTXHXYRRHP-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.94
Rot. Bonds1

About 3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine

3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 133188472) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID133188472
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC1(CC(F)(F)F)CCNC1
InChIInChI=1S/C7H12F3N/c1-6(2-3-11-5-6)4-7(8,9)10/h11H,2-5H2,1H3
InChIKeyKWTRCTXHXYRRHP-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine (CID 133188472) is 3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine is CC1(CC(F)(F)F)CCNC1.
What is the InChIKey of 3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is KWTRCTXHXYRRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-6(2-3-11-5-6)4-7(8,9)10/h11H,2-5H2,1H3.
What are the key properties of 3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine?
3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 167.17 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 133188472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).