2-methyl-2-(3,4,5-trifluorophenoxy)propanamide

C10H10F3NO2 — CID 142807668

IUPAC2-methyl-2-(3,4,5-trifluorophenoxy)propanamide
SMILESCC(C)(Oc1cc(F)c(F)c(F)c1)C(N)=O
InChIInChI=1S/C10H10F3NO2/c1-10(2,9(14)15)16-5-3-6(11)8(13)7(12)4-5/h3-4H,1-2H3,(H2,14,15)
InChIKeyUPBLORZUDSDNPN-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.75
Rot. Bonds3

About 2-methyl-2-(3,4,5-trifluorophenoxy)propanamide

2-methyl-2-(3,4,5-trifluorophenoxy)propanamide (PubChem CID 142807668) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-methyl-2-(3,4,5-trifluorophenoxy)propanamide.

Molecular Properties

Compound Name2-methyl-2-(3,4,5-trifluorophenoxy)propanamide
PubChem CID142807668
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2-methyl-2-(3,4,5-trifluorophenoxy)propanamide
SMILESCC(C)(Oc1cc(F)c(F)c(F)c1)C(N)=O
InChIInChI=1S/C10H10F3NO2/c1-10(2,9(14)15)16-5-3-6(11)8(13)7(12)4-5/h3-4H,1-2H3,(H2,14,15)
InChIKeyUPBLORZUDSDNPN-UHFFFAOYSA-N
XLogP1.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-bromo-5-(trifluoromethyl)phenoxy]-2-methylpropanamide
CID 165412307
2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 162567943
2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide
CID 3044350
ethane;2-methyl-2-(4-methylphenoxy)propanamide
CID 145199634
2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylpropanamide
CID 158559506
(3,4,5-trifluorophenyl) 2,2-difluoroacetate
CID 88574463
3-(trifluoromethoxy)-5-(3,4,5-trifluorophenyl)benzoic acid
CID 172650695
[2-methyl-1-oxo-1-(3,4,5-trifluorophenyl)propan-2-yl] acetate
CID 146008063
2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide
CID 107170404
2-amino-6-fluoro-4-(trifluoromethoxy)benzamide
CID 119008473
1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluoro-4-methylbenzene
CID 118604500
1,2,4,5-tetrafluoro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 12615516

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3,4,5-trifluorophenoxy)propanamide?
The IUPAC name of 2-methyl-2-(3,4,5-trifluorophenoxy)propanamide (CID 142807668) is 2-methyl-2-(3,4,5-trifluorophenoxy)propanamide.
What is the SMILES notation for 2-methyl-2-(3,4,5-trifluorophenoxy)propanamide?
The canonical SMILES for 2-methyl-2-(3,4,5-trifluorophenoxy)propanamide is CC(C)(Oc1cc(F)c(F)c(F)c1)C(N)=O.
What is the InChIKey of 2-methyl-2-(3,4,5-trifluorophenoxy)propanamide?
The InChIKey is UPBLORZUDSDNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-10(2,9(14)15)16-5-3-6(11)8(13)7(12)4-5/h3-4H,1-2H3,(H2,14,15).
What are the key properties of 2-methyl-2-(3,4,5-trifluorophenoxy)propanamide?
2-methyl-2-(3,4,5-trifluorophenoxy)propanamide has a molecular weight of 233.19 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3,4,5-trifluorophenoxy)propanamide is sourced from PubChem (CID 142807668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).