1-[2-(trifluoromethoxy)phenyl]ethanone

C9H7F3O2 — CID 2777176

IUPAC1-[2-(trifluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C9H7F3O2/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-5H,1H3
InChIKeyXTXSTESGCXKUIH-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.79
Rot. Bonds2

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

1-[2-(trifluoromethoxy)phenyl]ethanone (PubChem CID 2777176) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)phenyl]ethanone
PubChem CID2777176
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name1-[2-(trifluoromethoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C9H7F3O2/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-5H,1H3
InChIKeyXTXSTESGCXKUIH-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[2-(trifluoromethoxy)phenyl]ethanone (CID 2777176) is 1-[2-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-(trifluoromethoxy)phenyl]ethanone is CC(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is XTXSTESGCXKUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-5H,1H3.
What are the key properties of 1-[2-(trifluoromethoxy)phenyl]ethanone?
1-[2-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 204.15 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 2777176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).