3-(2,2-dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine

C11H18F3N — CID 174169277

IUPAC3-(2,2-dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine
SMILESC=C1NC(C(F)(F)F)CC1CC(C)(C)C
InChIInChI=1S/C11H18F3N/c1-7-8(6-10(2,3)4)5-9(15-7)11(12,13)14/h8-9,15H,1,5-6H2,2-4H3
InChIKeyOEJDWYSEUTWENO-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.48
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine

3-(2,2-dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine (PubChem CID 174169277) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine
PubChem CID174169277
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name3-(2,2-dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine
SMILESC=C1NC(C(F)(F)F)CC1CC(C)(C)C
InChIInChI=1S/C11H18F3N/c1-7-8(6-10(2,3)4)5-9(15-7)11(12,13)14/h8-9,15H,1,5-6H2,2-4H3
InChIKeyOEJDWYSEUTWENO-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine (CID 174169277) is 3-(2,2-dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine is C=C1NC(C(F)(F)F)CC1CC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine?
The InChIKey is OEJDWYSEUTWENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c1-7-8(6-10(2,3)4)5-9(15-7)11(12,13)14/h8-9,15H,1,5-6H2,2-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine?
3-(2,2-dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine has a molecular weight of 221.27 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 174169277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).