2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one

C13H16F2O2 — CID 82006429

IUPAC2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)OCC(F)F)cc1
InChIInChI=1S/C13H16F2O2/c1-3-10-4-6-11(7-5-10)13(16)9(2)17-8-12(14)15/h4-7,9,12H,3,8H2,1-2H3
InChIKeyQWFXULFVMIRTQZ-UHFFFAOYSA-N
MW242.26 g/mol
LogP3.10
Rot. Bonds6

About 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one

2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one (PubChem CID 82006429) has the molecular formula C13H16F2O2 and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one
PubChem CID82006429
Molecular FormulaC13H16F2O2
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)OCC(F)F)cc1
InChIInChI=1S/C13H16F2O2/c1-3-10-4-6-11(7-5-10)13(16)9(2)17-8-12(14)15/h4-7,9,12H,3,8H2,1-2H3
InChIKeyQWFXULFVMIRTQZ-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 43799619
1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one
CID 82955506
2-(cyclopentylmethoxy)-1-(4-ethylphenyl)propan-1-one
CID 66322866
1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one
CID 43798747
4-O-[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239598
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 7752998
1-(4-ethylphenyl)-2-methylsulfonylpropan-1-one
CID 62784024
1-(4-ethylphenyl)-2-ethylsulfinylpropan-1-one
CID 64639873
2-cyclobutyloxy-1-(4-ethylphenyl)propan-1-one
CID 62142171
1-(4-ethylphenyl)-2,2-dipropoxyethanone
CID 14761625
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949828
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 52889689

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one?
The IUPAC name of 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one (CID 82006429) is 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one is CCc1ccc(C(=O)C(C)OCC(F)F)cc1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one?
The InChIKey is QWFXULFVMIRTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O2/c1-3-10-4-6-11(7-5-10)13(16)9(2)17-8-12(14)15/h4-7,9,12H,3,8H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one?
2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one has a molecular weight of 242.26 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one is sourced from PubChem (CID 82006429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).