N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide

C10H17F3N2O — CID 90438031

IUPACN-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)N1CC[C@@H](NC(=O)C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-9(2,3)15-5-4-7(6-15)14-8(16)10(11,12)13/h7H,4-6H2,1-3H3,(H,14,16)/t7-/m1/s1
InChIKeyQLIBUWXQGSDQQK-SSDOTTSWSA-N
MW238.25 g/mol
LogP1.54
Rot. Bonds1

About N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide

N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 90438031) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
PubChem CID90438031
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC NameN-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)N1CC[C@@H](NC(=O)C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-9(2,3)15-5-4-7(6-15)14-8(16)10(11,12)13/h7H,4-6H2,1-3H3,(H,14,16)/t7-/m1/s1
InChIKeyQLIBUWXQGSDQQK-SSDOTTSWSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide (CID 90438031) is N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide is CC(C)(C)N1CC[C@@H](NC(=O)C(F)(F)F)C1.
What is the InChIKey of N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is QLIBUWXQGSDQQK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-9(2,3)15-5-4-7(6-15)14-8(16)10(11,12)13/h7H,4-6H2,1-3H3,(H,14,16)/t7-/m1/s1.
What are the key properties of N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 238.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 90438031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).