3-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C11H18F3NO — CID 118329651

IUPAC3-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC(C)(C)CC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C11H18F3NO/c1-10(2,3)6-8-4-5-15(9(8)16)7-11(12,13)14/h8H,4-7H2,1-3H3
InChIKeyRFMMMEKPLYNUQM-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.83
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 118329651) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID118329651
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name3-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC(C)(C)CC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C11H18F3NO/c1-10(2,3)6-8-4-5-15(9(8)16)7-11(12,13)14/h8H,4-7H2,1-3H3
InChIKeyRFMMMEKPLYNUQM-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 118329651) is 3-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CC(C)(C)CC1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is RFMMMEKPLYNUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-10(2,3)6-8-4-5-15(9(8)16)7-11(12,13)14/h8H,4-7H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 237.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 118329651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).