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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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).