N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide

C10H19F3N2O — CID 88935793

IUPACN-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN[C@H](CN(C)C(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H19F3N2O/c1-9(2,3)7(14-4)6-15(5)8(16)10(11,12)13/h7,14H,6H2,1-5H3/t7-/m1/s1
InChIKeyGDJGTYJCISOIRS-SSDOTTSWSA-N
MW240.27 g/mol
LogP1.64
Rot. Bonds3

About N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide

N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 88935793) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID88935793
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN[C@H](CN(C)C(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H19F3N2O/c1-9(2,3)7(14-4)6-15(5)8(16)10(11,12)13/h7,14H,6H2,1-5H3/t7-/m1/s1
InChIKeyGDJGTYJCISOIRS-SSDOTTSWSA-N
XLogP1.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide (CID 88935793) is N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide is CN[C@H](CN(C)C(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is GDJGTYJCISOIRS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(2,3)7(14-4)6-15(5)8(16)10(11,12)13/h7,14H,6H2,1-5H3/t7-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide?
N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 240.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 88935793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).