1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone

C11H12F2O2 — CID 170996432

IUPAC1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone
SMILESCCOc1cc(C(C)=O)cc(C(F)F)c1
InChIInChI=1S/C11H12F2O2/c1-3-15-10-5-8(7(2)14)4-9(6-10)11(12)13/h4-6,11H,3H2,1-2H3
InChIKeyZTKUIPFGXKRXLB-UHFFFAOYSA-N
MW214.21 g/mol
LogP3.23
Rot. Bonds4

About 1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone

1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone (PubChem CID 170996432) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone
PubChem CID170996432
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone
SMILESCCOc1cc(C(C)=O)cc(C(F)F)c1
InChIInChI=1S/C11H12F2O2/c1-3-15-10-5-8(7(2)14)4-9(6-10)11(12)13/h4-6,11H,3H2,1-2H3
InChIKeyZTKUIPFGXKRXLB-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethyl)-5-ethoxyphenyl]propan-1-one
CID 118813186
1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone
CID 164895664
1-[4-bromo-3-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 171001045
1-[4-amino-3-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 171028104
2-acetyl-6-(difluoromethyl)-4-ethoxybenzonitrile
CID 171030907
1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone
CID 171032429
1-[3-bromo-4-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 171001122
1-[5-(difluoromethyl)-2-ethoxy-3-iodophenyl]ethanone
CID 171032479
1-(4-acetyl-3,5-diethoxyphenyl)ethanone
CID 155595563
1-[3-(difluoromethyl)-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134622513
2-[3-(2-bromopropanoyl)-5-ethoxyphenyl]-2-hydroxyacetic acid
CID 134656885
3-acetyl-5-ethoxy-2-fluorobenzonitrile
CID 131536022

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone?
The IUPAC name of 1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone (CID 170996432) is 1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone?
The canonical SMILES for 1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone is CCOc1cc(C(C)=O)cc(C(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone?
The InChIKey is ZTKUIPFGXKRXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-3-15-10-5-8(7(2)14)4-9(6-10)11(12)13/h4-6,11H,3H2,1-2H3.
What are the key properties of 1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone?
1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone has a molecular weight of 214.21 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone is sourced from PubChem (CID 170996432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).