1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one

C10H9F3O2 — CID 118813115

IUPAC1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
SMILESCC(=O)Cc1cc(F)ccc1OC(F)F
InChIInChI=1S/C10H9F3O2/c1-6(14)4-7-5-8(11)2-3-9(7)15-10(12)13/h2-3,5,10H,4H2,1H3
InChIKeyWGBGEYVKNBAMKO-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.56
Rot. Bonds4

About 1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one

1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one (PubChem CID 118813115) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
PubChem CID118813115
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
SMILESCC(=O)Cc1cc(F)ccc1OC(F)F
InChIInChI=1S/C10H9F3O2/c1-6(14)4-7-5-8(11)2-3-9(7)15-10(12)13/h2-3,5,10H,4H2,1H3
InChIKeyWGBGEYVKNBAMKO-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethoxy)-3-(2-oxopropyl)benzaldehyde
CID 118801726
2-[2-(difluoromethoxy)-5-(2-oxopropyl)phenyl]acetic acid
CID 118809070
1-[2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 166640675
1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 118835915
2-[2-(difluoromethoxy)-5-fluorophenyl]acetonitrile
CID 118808935
1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one
CID 118818764
1-chloro-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 131320774
2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one
CID 134619294
1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
CID 84680200
1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone
CID 170996131
N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 107695779
2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid
CID 118826177

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one?
The IUPAC name of 1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one (CID 118813115) is 1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one.
What is the SMILES notation for 1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one?
The canonical SMILES for 1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one is CC(=O)Cc1cc(F)ccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one?
The InChIKey is WGBGEYVKNBAMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-6(14)4-7-5-8(11)2-3-9(7)15-10(12)13/h2-3,5,10H,4H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one?
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one has a molecular weight of 218.17 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one is sourced from PubChem (CID 118813115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).