N-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide

C12H13F4NO2 — CID 134858881

IUPACN-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide
SMILESCOC(CC(F)(F)F)(NC(C)=O)c1ccc(F)cc1
InChIInChI=1S/C12H13F4NO2/c1-8(18)17-11(19-2,7-12(14,15)16)9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyJHXKJIURIRUADH-UHFFFAOYSA-N
MW279.23 g/mol
LogP2.71
Rot. Bonds4

About N-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide

N-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide (PubChem CID 134858881) has the molecular formula C12H13F4NO2 and a molecular weight of 279.23 g/mol. Its IUPAC name is N-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide.

Molecular Properties

Compound NameN-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide
PubChem CID134858881
Molecular FormulaC12H13F4NO2
Molecular Weight279.23 g/mol
Exact Mass279.09
IUPAC NameN-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide
SMILESCOC(CC(F)(F)F)(NC(C)=O)c1ccc(F)cc1
InChIInChI=1S/C12H13F4NO2/c1-8(18)17-11(19-2,7-12(14,15)16)9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyJHXKJIURIRUADH-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 52.71
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

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-methoxy-1-phenylpropyl)acetamide
CID 134858821
N-[methoxy(phenyl)methyl]acetamide
CID 13204976
N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)propanamide
CID 788858
N-[2-(benzyloxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 16763849
[(1S)-2,2,2-trifluoro-1-isocyanato-1-methoxyethyl]benzene
CID 14066909

Frequently Asked Questions

What is the IUPAC name of N-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide?
The IUPAC name of N-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide (CID 134858881) is N-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide.
What is the SMILES notation for N-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide?
The canonical SMILES for N-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide is COC(CC(F)(F)F)(NC(C)=O)c1ccc(F)cc1.
What is the InChIKey of N-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide?
The InChIKey is JHXKJIURIRUADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO2/c1-8(18)17-11(19-2,7-12(14,15)16)9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide?
N-[3,3,3-trifluoro-1-(4-fluorophenyl)-1-methoxypropyl]acetamide has a molecular weight of 279.23 g/mol, XLogP of 2.71, 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-(4-fluorophenyl)-1-methoxypropyl]acetamide is sourced from PubChem (CID 134858881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).