1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone

C11H12F2O2 — CID 170996131

IUPAC1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone
SMILESCCc1cc(C(C)=O)ccc1OC(F)F
InChIInChI=1S/C11H12F2O2/c1-3-8-6-9(7(2)14)4-5-10(8)15-11(12)13/h4-6,11H,3H2,1-2H3
InChIKeyFUGDNJRHQPSIDH-UHFFFAOYSA-N
MW214.21 g/mol
LogP3.05
Rot. Bonds4

About 1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone

1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone (PubChem CID 170996131) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone
PubChem CID170996131
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone
SMILESCCc1cc(C(C)=O)ccc1OC(F)F
InChIInChI=1S/C11H12F2O2/c1-3-8-6-9(7(2)14)4-5-10(8)15-11(12)13/h4-6,11H,3H2,1-2H3
InChIKeyFUGDNJRHQPSIDH-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone
CID 171031742
1-[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]ethanone
CID 170997927
1-(4-butoxy-3-ethylphenyl)ethanone
CID 90741782
2-[5-acetyl-2-(difluoromethoxy)anilino]acetaldehyde
CID 88954051
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 118813115
2-[2-(difluoromethoxy)-5-(2-oxopropyl)phenyl]acetic acid
CID 118809070
1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone
CID 171031547
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone
CID 167736306
1-[3-[[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone
CID 6905479
1-[3-(2,2-difluoroethoxymethyl)-4-ethoxyphenyl]ethanone
CID 82005623
1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one
CID 118813012

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone?
The IUPAC name of 1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone (CID 170996131) is 1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone is CCc1cc(C(C)=O)ccc1OC(F)F.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone?
The InChIKey is FUGDNJRHQPSIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-3-8-6-9(7(2)14)4-5-10(8)15-11(12)13/h4-6,11H,3H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone?
1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone has a molecular weight of 214.21 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone is sourced from PubChem (CID 170996131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).