2-[4-cyano-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide

C13H13F3N2O2 — CID 115467877

IUPAC2-[4-cyano-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
SMILESCC(Oc1ccc(C#N)cc1C(F)(F)F)C(=O)N(C)C
InChIInChI=1S/C13H13F3N2O2/c1-8(12(19)18(2)3)20-11-5-4-9(7-17)6-10(11)13(14,15)16/h4-6,8H,1-3H3
InChIKeyRMMWUGSARYSXDD-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.43
Rot. Bonds3

About 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide

2-[4-cyano-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide (PubChem CID 115467877) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-cyano-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
PubChem CID115467877
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name2-[4-cyano-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
SMILESCC(Oc1ccc(C#N)cc1C(F)(F)F)C(=O)N(C)C
InChIInChI=1S/C13H13F3N2O2/c1-8(12(19)18(2)3)20-11-5-4-9(7-17)6-10(11)13(14,15)16/h4-6,8H,1-3H3
InChIKeyRMMWUGSARYSXDD-UHFFFAOYSA-N
XLogP2.43
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467817
4-[(2S)-butan-2-yl]oxy-3-(trifluoromethyl)benzonitrile
CID 18446951
2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
4-(3-oxobutoxy)-3-(trifluoromethyl)benzonitrile
CID 115468237
2-[4-cyano-2-(trifluoromethyl)phenoxy]-2,2-difluoroacetic acid
CID 115467547
methyl 2-[4-cyano-2-(trifluoromethyl)phenoxy]-2-cyclopropylacetate
CID 115467560
4-(5-oxohexoxy)-3-(trifluoromethyl)benzonitrile
CID 115468246
2-[4-amino-2-(trifluoromethyl)phenoxy]-N,N-diethylpropanamide
CID 61389463
2-[4-cyano-2-[2-fluoro-5-(trifluoromethyl)phenyl]phenoxy]propanoic acid
CID 76764759
4-(3-methylbut-3-enoxy)-3-(trifluoromethyl)benzonitrile
CID 114472632
2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 24500719
4-[2-(propan-2-ylamino)ethoxy]-3-(trifluoromethyl)benzonitrile
CID 115468047

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide (CID 115467877) is 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide is CC(Oc1ccc(C#N)cc1C(F)(F)F)C(=O)N(C)C.
What is the InChIKey of 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide?
The InChIKey is RMMWUGSARYSXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-8(12(19)18(2)3)20-11-5-4-9(7-17)6-10(11)13(14,15)16/h4-6,8H,1-3H3.
What are the key properties of 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide?
2-[4-cyano-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide has a molecular weight of 286.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 115467877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).