2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C11H8F4N2O2 — CID 78952816

IUPAC2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESN#Cc1ccc(OCC(=O)NCC(F)(F)F)cc1F
InChIInChI=1S/C11H8F4N2O2/c12-9-3-8(2-1-7(9)4-16)19-5-10(18)17-6-11(13,14)15/h1-3H,5-6H2,(H,17,18)
InChIKeyJVJZXCCFXPMVAJ-UHFFFAOYSA-N
MW276.19 g/mol
LogP1.75
Rot. Bonds4

About 2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78952816) has the molecular formula C11H8F4N2O2 and a molecular weight of 276.19 g/mol. Its IUPAC name is 2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78952816
Molecular FormulaC11H8F4N2O2
Molecular Weight276.19 g/mol
Exact Mass276.05
IUPAC Name2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESN#Cc1ccc(OCC(=O)NCC(F)(F)F)cc1F
InChIInChI=1S/C11H8F4N2O2/c12-9-3-8(2-1-7(9)4-16)19-5-10(18)17-6-11(13,14)15/h1-3H,5-6H2,(H,17,18)
InChIKeyJVJZXCCFXPMVAJ-UHFFFAOYSA-N
XLogP1.75
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 63999855
3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]benzoic acid
CID 43214258
N-(2-chlorophenyl)-2-(4-cyano-3-fluorophenoxy)acetamide
CID 78952552
4-(2-cyclopentyl-2-oxoethoxy)-2-fluorobenzonitrile
CID 113241516
2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile
CID 78952730
2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 31880526
N-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide
CID 122134917
2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 54962208
[(E)-2-[(4-cyano-3-fluorophenoxy)methyl]-3-fluoroprop-2-enyl] carbamate
CID 175410716
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739
4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile
CID 78952755

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 78952816) is 2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is N#Cc1ccc(OCC(=O)NCC(F)(F)F)cc1F.
What is the InChIKey of 2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JVJZXCCFXPMVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2O2/c12-9-3-8(2-1-7(9)4-16)19-5-10(18)17-6-11(13,14)15/h1-3H,5-6H2,(H,17,18).
What are the key properties of 2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 276.19 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78952816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).