N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide

C13H16F3NO — CID 11097278

IUPACN-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[C@H](NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H16F3NO/c1-12(2,3)10(9-7-5-4-6-8-9)17-11(18)13(14,15)16/h4-8,10H,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyUXSPAZNGBSXXNG-SNVBAGLBSA-N
MW259.27 g/mol
LogP3.45
Rot. Bonds2

About N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide

N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide (PubChem CID 11097278) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide
PubChem CID11097278
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[C@H](NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H16F3NO/c1-12(2,3)10(9-7-5-4-6-8-9)17-11(18)13(14,15)16/h4-8,10H,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyUXSPAZNGBSXXNG-SNVBAGLBSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide
CID 103733000
3-amino-N-(2,2-dimethyl-1-phenylpropyl)-2,2-dimethylpropanamide
CID 115426224
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
N-(2,2-dimethyl-1-phenylpropyl)-2-(methylamino)acetamide
CID 43705369
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide
CID 87216450
[(S)-phenyl-[(2,2,2-trifluoroacetyl)amino]methyl] acetate
CID 172811542
2,2,2-trifluoro-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 122703321
(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride
CID 119290104
methyl (2S,3S)-3-hydroxy-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 11323754
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
CID 51940796
N'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide
CID 141117189

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide (CID 11097278) is N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide is CC(C)(C)[C@H](NC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide?
The InChIKey is UXSPAZNGBSXXNG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-12(2,3)10(9-7-5-4-6-8-9)17-11(18)13(14,15)16/h4-8,10H,1-3H3,(H,17,18)/t10-/m1/s1.
What are the key properties of N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide?
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide has a molecular weight of 259.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11097278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).