N-[(3S)-4,4-dimethylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide

C8H13F3N2O — CID 54061110

IUPACN-[(3S)-4,4-dimethylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCC1(C)CNC[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-7(2)4-12-3-5(7)13-6(14)8(9,10)11/h5,12H,3-4H2,1-2H3,(H,13,14)/t5-/m1/s1
InChIKeyLZTJSJKRAVATFJ-RXMQYKEDSA-N
MW210.20 g/mol
LogP0.66
Rot. Bonds1

About N-[(3S)-4,4-dimethylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide

N-[(3S)-4,4-dimethylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 54061110) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is N-[(3S)-4,4-dimethylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(3S)-4,4-dimethylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
PubChem CID54061110
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC NameN-[(3S)-4,4-dimethylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCC1(C)CNC[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-7(2)4-12-3-5(7)13-6(14)8(9,10)11/h5,12H,3-4H2,1-2H3,(H,13,14)/t5-/m1/s1
InChIKeyLZTJSJKRAVATFJ-RXMQYKEDSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4,4-dimethylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(3S)-4,4-dimethylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide (CID 54061110) is N-[(3S)-4,4-dimethylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(3S)-4,4-dimethylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(3S)-4,4-dimethylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide is CC1(C)CNC[C@H]1NC(=O)C(F)(F)F.
What is the InChIKey of N-[(3S)-4,4-dimethylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is LZTJSJKRAVATFJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-7(2)4-12-3-5(7)13-6(14)8(9,10)11/h5,12H,3-4H2,1-2H3,(H,13,14)/t5-/m1/s1.
What are the key properties of N-[(3S)-4,4-dimethylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
N-[(3S)-4,4-dimethylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 210.20 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-4,4-dimethylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 54061110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).