2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide

C11H9F3N2O2 — CID 168520948

IUPAC2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-18-9-4-2-1-3-8(9)16-10(17)5-6-15/h1-4H,5,7H2,(H,16,17)
InChIKeyPXUFZFHIFKMCSC-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.48
Rot. Bonds4

About 2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide

2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 168520948) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID168520948
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-18-9-4-2-1-3-8(9)16-10(17)5-6-15/h1-4H,5,7H2,(H,16,17)
InChIKeyPXUFZFHIFKMCSC-UHFFFAOYSA-N
XLogP2.48
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168522088
2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 168520539
2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 168521827
2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60716131
2-cyano-N-[2-(2-pyridin-2-ylethoxy)phenyl]acetamide
CID 168521174
4-(2-cyanoethylsulfamoyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 33371496
tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate
CID 60596060
3-(2-chlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 33370497
2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 112685720
4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 41369771
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 33372160
N-[2-(2,2,2-trifluoroethoxy)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 33370581

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 168520948) is 2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide is N#CCC(=O)Nc1ccccc1OCC(F)(F)F.
What is the InChIKey of 2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is PXUFZFHIFKMCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-11(13,14)7-18-9-4-2-1-3-8(9)16-10(17)5-6-15/h1-4H,5,7H2,(H,16,17).
What are the key properties of 2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 258.20 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 168520948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).