[2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate

C14H17F2NO3 — CID 138963596

IUPAC[2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC(=O)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H17F2NO3/c1-3-17(4-2)14(19)20-9-12(18)10-5-7-11(8-6-10)13(15)16/h5-8,13H,3-4,9H2,1-2H3
InChIKeyZCAZFRCITJVCFK-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.29
Rot. Bonds6

About [2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate

[2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate (PubChem CID 138963596) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is [2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate
PubChem CID138963596
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name[2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC(=O)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H17F2NO3/c1-3-17(4-2)14(19)20-9-12(18)10-5-7-11(8-6-10)13(15)16/h5-8,13H,3-4,9H2,1-2H3
InChIKeyZCAZFRCITJVCFK-UHFFFAOYSA-N
XLogP3.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate
CID 2774410
Ethanone, 2-(acetyloxy)-1-[4-(trifluoromethyl)phenyl]-
CID 2726754
2-Methoxy-1-(4'-trifluoromethyl)phenylethanone
CID 10192675
1-(4-Methylphenyl)-2-(trifluoromethoxy)ethanone
CID 176244054
(1,1-difluoro-3-oxo-3-phenylprop-1-en-2-yl) N,N-diethylcarbamate
CID 10956981
[1-oxo-1-[4-(trifluoromethyl)phenyl]propan-2-yl] N,N-dibutylcarbamate
CID 164679587
1-(4-Acetylphenyl)-2-(trifluoromethoxy)ethanone
CID 176438142
(1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate
CID 58710946
phenacyl N,N-diethylcarbamate
CID 138964297
[2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate
CID 138964366
(1-Oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate
CID 163613761
2-(Trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 57925518

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate?
The IUPAC name of [2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate (CID 138963596) is [2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate.
What is the SMILES notation for [2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate?
The canonical SMILES for [2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate is CCN(CC)C(=O)OCC(=O)c1ccc(C(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate?
The InChIKey is ZCAZFRCITJVCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-3-17(4-2)14(19)20-9-12(18)10-5-7-11(8-6-10)13(15)16/h5-8,13H,3-4,9H2,1-2H3.
What are the key properties of [2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate?
[2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate has a molecular weight of 285.29 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate is sourced from PubChem (CID 138963596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).