2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide

C12H11F6NO2 — CID 78760649

IUPAC2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11F6NO2/c1-19(2)10(20)6-21-9-4-7(11(13,14)15)3-8(5-9)12(16,17)18/h3-5H,6H2,1-2H3
InChIKeyHEKRZUGCOZEAEJ-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.19
Rot. Bonds3

About 2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide

2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide (PubChem CID 78760649) has the molecular formula C12H11F6NO2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide
PubChem CID78760649
Molecular FormulaC12H11F6NO2
Molecular Weight315.21 g/mol
Exact Mass315.07
IUPAC Name2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11F6NO2/c1-19(2)10(20)6-21-9-4-7(11(13,14)15)3-8(5-9)12(16,17)18/h3-5H,6H2,1-2H3
InChIKeyHEKRZUGCOZEAEJ-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide
CID 21049544
N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 9480621
2-(3-hydroxy-5-methylphenoxy)-N,N-dimethylacetamide
CID 19856163
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 78767226
2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid
CID 154733834
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869
2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
CID 107171377
2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-N-methylprop-2-en-1-amine
CID 103067280
ethyl 2-[3-[ethoxymethyl(methyl)amino]sulfanyl-5-(trifluoromethyl)phenoxy]acetate
CID 143905591
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2544509
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide
CID 7796197
1-propoxy-3,5-bis(trifluoromethyl)benzene
CID 23395147

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide (CID 78760649) is 2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide?
The InChIKey is HEKRZUGCOZEAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6NO2/c1-19(2)10(20)6-21-9-4-7(11(13,14)15)3-8(5-9)12(16,17)18/h3-5H,6H2,1-2H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide?
2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide has a molecular weight of 315.21 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 78760649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).