1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone

C13H16F2O2 — CID 171032429

IUPAC1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone
SMILESCCOc1cc(CC)c(C(F)F)c(C(C)=O)c1
InChIInChI=1S/C13H16F2O2/c1-4-9-6-10(17-5-2)7-11(8(3)16)12(9)13(14)15/h6-7,13H,4-5H2,1-3H3
InChIKeyVTZLHVAYUSTYRR-UHFFFAOYSA-N
MW242.26 g/mol
LogP3.79
Rot. Bonds5

About 1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone

1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone (PubChem CID 171032429) has the molecular formula C13H16F2O2 and a molecular weight of 242.26 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone
PubChem CID171032429
Molecular FormulaC13H16F2O2
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone
SMILESCCOc1cc(CC)c(C(F)F)c(C(C)=O)c1
InChIInChI=1S/C13H16F2O2/c1-4-9-6-10(17-5-2)7-11(8(3)16)12(9)13(14)15/h6-7,13H,4-5H2,1-3H3
InChIKeyVTZLHVAYUSTYRR-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetyl-6-(difluoromethyl)-4-ethoxybenzonitrile
CID 171030907
1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 170996432
1-[5-(difluoromethyl)-4-ethyl-2-iodophenyl]ethanone
CID 131629712
1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone
CID 171031722
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone
CID 171001079
3-acetyl-5-ethoxy-2-fluorobenzonitrile
CID 131536022
1-(3-amino-2-chloro-5-ethoxyphenyl)ethanone
CID 131311738
1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone
CID 171031662
3-acetyl-5-ethoxy-2-(trifluoromethyl)benzaldehyde
CID 171023497
1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone
CID 131626156
3-acetyl-5-ethoxy-2-iodobenzaldehyde
CID 171024794

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone?
The IUPAC name of 1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone (CID 171032429) is 1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone.
What is the SMILES notation for 1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone?
The canonical SMILES for 1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone is CCOc1cc(CC)c(C(F)F)c(C(C)=O)c1.
What is the InChIKey of 1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone?
The InChIKey is VTZLHVAYUSTYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O2/c1-4-9-6-10(17-5-2)7-11(8(3)16)12(9)13(14)15/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone?
1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone has a molecular weight of 242.26 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone is sourced from PubChem (CID 171032429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).