2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone

C9H7F3O2 — CID 2759734

IUPAC2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)C(F)(F)F)c1
InChIInChI=1S/C9H7F3O2/c1-14-7-4-2-3-6(5-7)8(13)9(10,11)12/h2-5H,1H3
InChIKeyYCVFUKRFGPIHOI-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.44
Rot. Bonds2

About 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone

2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone (PubChem CID 2759734) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone
PubChem CID2759734
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)C(F)(F)F)c1
InChIInChI=1S/C9H7F3O2/c1-14-7-4-2-3-6(5-7)8(13)9(10,11)12/h2-5H,1H3
InChIKeyYCVFUKRFGPIHOI-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4'-Methoxyacetophenone
CID 7476
3-Methoxybenzoic Acid
CID 11461
3-Methoxybenzaldehyde
CID 11569
1-(p-Methoxyphenyl)-2-propanone
CID 31231
3-Methylchromone
CID 66569
Chromone
CID 10286
2'-Methoxyacetophenone
CID 68481
1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
CID 31494
6-Methoxy-alpha-tetralone
CID 14112
1-Propanone, 1-(3,4-dimethoxyphenyl)-
CID 15781
1,2-Ethanedione, 1,2-bis(3-methoxyphenyl)-
CID 123493
4-Methoxychalcone
CID 641819

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone (CID 2759734) is 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone?
The InChIKey is YCVFUKRFGPIHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c1-14-7-4-2-3-6(5-7)8(13)9(10,11)12/h2-5H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone?
2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone has a molecular weight of 204.15 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 2759734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).