1-(3-ethoxy-5-fluorophenyl)propan-2-one

C11H13FO2 — CID 118813373

IUPAC1-(3-ethoxy-5-fluorophenyl)propan-2-one
SMILESCCOc1cc(F)cc(CC(C)=O)c1
InChIInChI=1S/C11H13FO2/c1-3-14-11-6-9(4-8(2)13)5-10(12)7-11/h5-7H,3-4H2,1-2H3
InChIKeyLLGQJSQAEJQVMJ-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.36
Rot. Bonds4

About 1-(3-ethoxy-5-fluorophenyl)propan-2-one

1-(3-ethoxy-5-fluorophenyl)propan-2-one (PubChem CID 118813373) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-(3-ethoxy-5-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-ethoxy-5-fluorophenyl)propan-2-one
PubChem CID118813373
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name1-(3-ethoxy-5-fluorophenyl)propan-2-one
SMILESCCOc1cc(F)cc(CC(C)=O)c1
InChIInChI=1S/C11H13FO2/c1-3-14-11-6-9(4-8(2)13)5-10(12)7-11/h5-7H,3-4H2,1-2H3
InChIKeyLLGQJSQAEJQVMJ-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxy-5-methoxyphenyl)propan-2-one
CID 166641883
2-(3-ethoxy-5-fluorophenyl)ethanol
CID 91657275
1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
CID 105403559
1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one
CID 118804158
1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one
CID 70064729
1-(4-ethoxy-3-fluorophenyl)propan-2-one
CID 82491351
1-(3,5-difluorophenyl)butan-2-one
CID 61496651
1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one
CID 83894588
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423
3-(3-ethoxy-5-fluorophenyl)prop-2-enamide
CID 169482023
1-(2,2-dimethylpropoxy)-3-ethoxy-5-fluorobenzene;ethane;propane
CID 170603144
1-(3,5-difluorophenyl)-3-ethoxypropan-2-one
CID 79566603

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-5-fluorophenyl)propan-2-one?
The IUPAC name of 1-(3-ethoxy-5-fluorophenyl)propan-2-one (CID 118813373) is 1-(3-ethoxy-5-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(3-ethoxy-5-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(3-ethoxy-5-fluorophenyl)propan-2-one is CCOc1cc(F)cc(CC(C)=O)c1.
What is the InChIKey of 1-(3-ethoxy-5-fluorophenyl)propan-2-one?
The InChIKey is LLGQJSQAEJQVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-3-14-11-6-9(4-8(2)13)5-10(12)7-11/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(3-ethoxy-5-fluorophenyl)propan-2-one?
1-(3-ethoxy-5-fluorophenyl)propan-2-one has a molecular weight of 196.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-5-fluorophenyl)propan-2-one is sourced from PubChem (CID 118813373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).