1-methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine

C11H20F3NO — CID 166984292

IUPAC1-methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
SMILESCC(C)CC1CC(OCC(F)(F)F)CN1C
InChIInChI=1S/C11H20F3NO/c1-8(2)4-9-5-10(6-15(9)3)16-7-11(12,13)14/h8-10H,4-7H2,1-3H3
InChIKeyKCNWHUAWBHKEOD-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.68
Rot. Bonds4

About 1-methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine

1-methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine (PubChem CID 166984292) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
PubChem CID166984292
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
SMILESCC(C)CC1CC(OCC(F)(F)F)CN1C
InChIInChI=1S/C11H20F3NO/c1-8(2)4-9-5-10(6-15(9)3)16-7-11(12,13)14/h8-10H,4-7H2,1-3H3
InChIKeyKCNWHUAWBHKEOD-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine?
The IUPAC name of 1-methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine (CID 166984292) is 1-methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine.
What is the SMILES notation for 1-methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine?
The canonical SMILES for 1-methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine is CC(C)CC1CC(OCC(F)(F)F)CN1C.
What is the InChIKey of 1-methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine?
The InChIKey is KCNWHUAWBHKEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(2)4-9-5-10(6-15(9)3)16-7-11(12,13)14/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine?
1-methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine has a molecular weight of 239.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine is sourced from PubChem (CID 166984292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).