2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone

C16H13F3O2 — CID 83951355

IUPAC2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone
SMILESCc1ccc(COc2cccc(C(=O)C(F)(F)F)c2)cc1
InChIInChI=1S/C16H13F3O2/c1-11-5-7-12(8-6-11)10-21-14-4-2-3-13(9-14)15(20)16(17,18)19/h2-9H,10H2,1H3
InChIKeyWZQMSACQNUQJGZ-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.32
Rot. Bonds4

About 2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone

2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone (PubChem CID 83951355) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone
PubChem CID83951355
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone
SMILESCc1ccc(COc2cccc(C(=O)C(F)(F)F)c2)cc1
InChIInChI=1S/C16H13F3O2/c1-11-5-7-12(8-6-11)10-21-14-4-2-3-13(9-14)15(20)16(17,18)19/h2-9H,10H2,1H3
InChIKeyWZQMSACQNUQJGZ-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]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

1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83952085
2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442
1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83952238
1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide
CID 159572663
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
(2-bromo-3-pyridinyl)-[3-[(4-methylphenyl)methoxy]phenyl]methanone
CID 139998037
2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 176890348
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
3-[(4-butylphenyl)methoxy]benzoic acid
CID 66912959
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide
CID 20984569
potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63678267

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone (CID 83951355) is 2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone is Cc1ccc(COc2cccc(C(=O)C(F)(F)F)c2)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone?
The InChIKey is WZQMSACQNUQJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-11-5-7-12(8-6-11)10-21-14-4-2-3-13(9-14)15(20)16(17,18)19/h2-9H,10H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone?
2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone has a molecular weight of 294.27 g/mol, XLogP of 4.32, 4 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-[(4-methylphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 83951355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).