1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone

C11H8F6O2 — CID 119005128

IUPAC1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone
SMILESCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(C)=O
InChIInChI=1S/C11H8F6O2/c1-5(18)9-7(11(15,16)17)3-6(10(12,13)14)4-8(9)19-2/h3-4H,1-2H3
InChIKeyQGDKSPSXAZXPOX-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.94
Rot. Bonds2

About 1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone

1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone (PubChem CID 119005128) has the molecular formula C11H8F6O2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone
PubChem CID119005128
Molecular FormulaC11H8F6O2
Molecular Weight286.17 g/mol
Exact Mass286.04
IUPAC Name1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone
SMILESCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(C)=O
InChIInChI=1S/C11H8F6O2/c1-5(18)9-7(11(15,16)17)3-6(10(12,13)14)4-8(9)19-2/h3-4H,1-2H3
InChIKeyQGDKSPSXAZXPOX-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2'-Methoxyacetophenone
CID 68481
5-Methoxy-2-methylnaphthalene-1,4-dione
CID 185478
1-Methoxy-9,10-anthracenedione
CID 6707
1-(2-Methoxy-4-methylphenyl)ethanone
CID 9167405
2-Trifluoromethyl-2'-methoxychalcone
CID 53262706
5-Methoxy-7-methyl-naphthalene-1,4-dione
CID 11830482
1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one
CID 2736073
7-Methoxy-1-indanone
CID 288143
2'-Methoxy-1'-acetonaphthone
CID 458194
1-(2-Methoxyphenyl)propan-1-one
CID 347969
2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-1-methoxy-3,5,5,8,8-pentamethyl-
CID 174766
5,6,7-Trimethyl-2-p-tolyl-chromen-4-one
CID 44378768

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone (CID 119005128) is 1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone is COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(C)=O.
What is the InChIKey of 1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone?
The InChIKey is QGDKSPSXAZXPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O2/c1-5(18)9-7(11(15,16)17)3-6(10(12,13)14)4-8(9)19-2/h3-4H,1-2H3.
What are the key properties of 1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone?
1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone has a molecular weight of 286.17 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 119005128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).