2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine

C11H21F3N2 — CID 106981719

IUPAC2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCC(C)C1(CN(C)CC(F)(F)F)CCNC1
InChIInChI=1S/C11H21F3N2/c1-9(2)10(4-5-15-6-10)7-16(3)8-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyMCQDQTYROQHIJT-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.12
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine

2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 106981719) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID106981719
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCC(C)C1(CN(C)CC(F)(F)F)CCNC1
InChIInChI=1S/C11H21F3N2/c1-9(2)10(4-5-15-6-10)7-16(3)8-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyMCQDQTYROQHIJT-UHFFFAOYSA-N
XLogP2.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine (CID 106981719) is 2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine is CC(C)C1(CN(C)CC(F)(F)F)CCNC1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is MCQDQTYROQHIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-9(2)10(4-5-15-6-10)7-16(3)8-11(12,13)14/h9,15H,4-8H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 238.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 106981719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).