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

C10H19F3N2 — CID 106981743

IUPAC2,2,2-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCC(C)C1(CNCC(F)(F)F)CCNC1
InChIInChI=1S/C10H19F3N2/c1-8(2)9(3-4-14-5-9)6-15-7-10(11,12)13/h8,14-15H,3-7H2,1-2H3
InChIKeyHZJJQGRCLHWBCZ-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.77
Rot. Bonds4

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

2,2,2-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 106981743) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID106981743
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name2,2,2-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCC(C)C1(CNCC(F)(F)F)CCNC1
InChIInChI=1S/C10H19F3N2/c1-8(2)9(3-4-14-5-9)6-15-7-10(11,12)13/h8,14-15H,3-7H2,1-2H3
InChIKeyHZJJQGRCLHWBCZ-UHFFFAOYSA-N
XLogP1.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine (CID 106981743) is 2,2,2-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine is CC(C)C1(CNCC(F)(F)F)CCNC1.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is HZJJQGRCLHWBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-8(2)9(3-4-14-5-9)6-15-7-10(11,12)13/h8,14-15H,3-7H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 224.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 106981743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).