N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide

C13H16F3NO2 — CID 134838437

IUPACN-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide
SMILESCOC(CC(F)(F)F)(NC(C)=O)c1cccc(C)c1
InChIInChI=1S/C13H16F3NO2/c1-9-5-4-6-11(7-9)12(19-3,17-10(2)18)8-13(14,15)16/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyUGTUJRWJXUXGDT-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.88
Rot. Bonds4

About N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide

N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide (PubChem CID 134838437) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide
PubChem CID134838437
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide
SMILESCOC(CC(F)(F)F)(NC(C)=O)c1cccc(C)c1
InChIInChI=1S/C13H16F3NO2/c1-9-5-4-6-11(7-9)12(19-3,17-10(2)18)8-13(14,15)16/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyUGTUJRWJXUXGDT-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Trifluoroacetamidophenylethanol
CID 129800673
N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide
CID 134838646
N-[3,3,3-trifluoro-1-methoxy-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 134838892
N-[1-(4-cyanophenyl)-3,3,3-trifluoro-1-methoxypropyl]acetamide
CID 134858793
N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide
CID 134858821
N-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide
CID 134858881
N-[(S)-methoxy-[2-(4,4,4-trifluorobutyl)phenyl]methyl]-2,2-dimethylpropanamide
CID 134951266
N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide
CID 138966445
N-(1,3-dihydroxy-1-phenylpropyl)-2,2,2-trifluoroacetamide
CID 20374860
(E)-N-[(2S)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-phenylpent-4-en-2-yl]but-2-enamide
CID 58718512
(2S)-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-1,3-dihydropyridin-6-one
CID 58718535
(5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1H-pyrrol-2-one
CID 58718565

Frequently Asked Questions

What is the IUPAC name of N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide?
The IUPAC name of N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide (CID 134838437) is N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide.
What is the SMILES notation for N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide?
The canonical SMILES for N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide is COC(CC(F)(F)F)(NC(C)=O)c1cccc(C)c1.
What is the InChIKey of N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide?
The InChIKey is UGTUJRWJXUXGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9-5-4-6-11(7-9)12(19-3,17-10(2)18)8-13(14,15)16/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide?
N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide has a molecular weight of 275.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide is sourced from PubChem (CID 134838437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).