2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide

C10H17F3N2O — CID 169194163

IUPAC2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)C(F)(F)F)C1CCNC1
InChIInChI=1S/C10H17F3N2O/c1-6(2)8(7-3-4-14-5-7)15-9(16)10(11,12)13/h6-8,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyMKQKATFPUKHTAC-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.30
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide

2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide (PubChem CID 169194163) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide
PubChem CID169194163
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)C(F)(F)F)C1CCNC1
InChIInChI=1S/C10H17F3N2O/c1-6(2)8(7-3-4-14-5-7)15-9(16)10(11,12)13/h6-8,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyMKQKATFPUKHTAC-UHFFFAOYSA-N
XLogP1.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.30
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-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide (CID 169194163) is 2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide is CC(C)C(NC(=O)C(F)(F)F)C1CCNC1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide?
The InChIKey is MKQKATFPUKHTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-6(2)8(7-3-4-14-5-7)15-9(16)10(11,12)13/h6-8,14H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide?
2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide has a molecular weight of 238.25 g/mol, XLogP of 1.30, 3 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-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide is sourced from PubChem (CID 169194163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).