2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide

C11H12F3NO2 — CID 162567943

IUPAC2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
SMILESCC(C)(Oc1ccc(C(F)(F)F)cc1)C(N)=O
InChIInChI=1S/C11H12F3NO2/c1-10(2,9(15)16)17-8-5-3-7(4-6-8)11(12,13)14/h3-6H,1-2H3,(H2,15,16)
InChIKeyIVGLKBZEFGCASR-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.35
Rot. Bonds3

About 2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide

2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide (PubChem CID 162567943) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
PubChem CID162567943
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
SMILESCC(C)(Oc1ccc(C(F)(F)F)cc1)C(N)=O
InChIInChI=1S/C11H12F3NO2/c1-10(2,9(15)16)17-8-5-3-7(4-6-8)11(12,13)14/h3-6H,1-2H3,(H2,15,16)
InChIKeyIVGLKBZEFGCASR-UHFFFAOYSA-N
XLogP2.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 70356908
ethane;2-methyl-2-(4-methylphenoxy)propanamide
CID 145199634
methyl 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 146594151
2-[3-bromo-5-(trifluoromethyl)phenoxy]-2-methylpropanamide
CID 165412307
ethane;2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 143180631
1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene
CID 59933429
propan-2-yl 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 146594149
2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid
CID 143921045
2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol
CID 175409271
(4-tert-butylphenyl) [4-(trifluoromethyl)phenyl] carbonate
CID 70424353
2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide
CID 3044350
N-[4-(trifluoromethyl)phenoxy]acetamide
CID 162546353

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of 2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide (CID 162567943) is 2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for 2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for 2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide is CC(C)(Oc1ccc(C(F)(F)F)cc1)C(N)=O.
What is the InChIKey of 2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is IVGLKBZEFGCASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-10(2,9(15)16)17-8-5-3-7(4-6-8)11(12,13)14/h3-6H,1-2H3,(H2,15,16).
What are the key properties of 2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide?
2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 247.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 162567943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).