N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide

C12H14F3NO2 — CID 134858821

IUPACN-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide
SMILESCOC(CC(F)(F)F)(NC(C)=O)c1ccccc1
InChIInChI=1S/C12H14F3NO2/c1-9(17)16-11(18-2,8-12(13,14)15)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyLRMJZSQOEWPHSH-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.57
Rot. Bonds4

About N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide

N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide (PubChem CID 134858821) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide
PubChem CID134858821
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC NameN-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide
SMILESCOC(CC(F)(F)F)(NC(C)=O)c1ccccc1
InChIInChI=1S/C12H14F3NO2/c1-9(17)16-11(18-2,8-12(13,14)15)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyLRMJZSQOEWPHSH-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.57
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

3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 51082979
2,2,2-Trifluoro-1-methoxy-1-phenylethanamine
CID 12164756
(2,2,2-Trifluoro-1-isocyanato-1-methoxyethyl)benzene
CID 14066908
Trifluoroacetamidophenylethanol
CID 129800673
N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide
CID 134838437
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-(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-[methoxy(phenyl)methyl]acetamide
CID 13204976

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide?
The IUPAC name of N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide (CID 134858821) is N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide.
What is the SMILES notation for N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide?
The canonical SMILES for N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide is COC(CC(F)(F)F)(NC(C)=O)c1ccccc1.
What is the InChIKey of N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide?
The InChIKey is LRMJZSQOEWPHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-9(17)16-11(18-2,8-12(13,14)15)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide?
N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide has a molecular weight of 261.24 g/mol, XLogP of 2.57, 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-phenylpropyl)acetamide is sourced from PubChem (CID 134858821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).