1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone

C9H6F4O2 — CID 131527772

IUPAC1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1OC(F)(F)F
InChIInChI=1S/C9H6F4O2/c1-5(14)7-4-6(10)2-3-8(7)15-9(11,12)13/h2-4H,1H3
InChIKeyAGEZYAWPJWABOS-UHFFFAOYSA-N
MW222.14 g/mol
LogP2.93
Rot. Bonds2

About 1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone

1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone (PubChem CID 131527772) has the molecular formula C9H6F4O2 and a molecular weight of 222.14 g/mol. Its IUPAC name is 1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone
PubChem CID131527772
Molecular FormulaC9H6F4O2
Molecular Weight222.14 g/mol
Exact Mass222.03
IUPAC Name1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1OC(F)(F)F
InChIInChI=1S/C9H6F4O2/c1-5(14)7-4-6(10)2-3-8(7)15-9(11,12)13/h2-4H,1H3
InChIKeyAGEZYAWPJWABOS-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate
CID 162450975
2-bromo-1-[5-fluoro-2-(trifluoromethoxy)phenyl]propan-1-one
CID 119018750
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
1-[2,4-difluoro-5-(trifluoromethoxy)phenyl]ethanone
CID 171006054
1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone
CID 167069993
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650
1-[5-fluoro-2-(3-methylsulfonylpropoxy)phenyl]ethanone
CID 78925927
1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
CID 112787668
2-(2-acetyl-4-fluorophenoxy)propanamide
CID 78906193
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone
CID 112769767

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone (CID 131527772) is 1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone is CC(=O)c1cc(F)ccc1OC(F)(F)F.
What is the InChIKey of 1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is AGEZYAWPJWABOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O2/c1-5(14)7-4-6(10)2-3-8(7)15-9(11,12)13/h2-4H,1H3.
What are the key properties of 1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone?
1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 222.14 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 131527772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).