1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene

C9H8F4O — CID 145450835

IUPAC1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccc(OCF)c(C(F)(F)F)c1
InChIInChI=1S/C9H8F4O/c1-6-2-3-8(14-5-10)7(4-6)9(11,12)13/h2-4H,5H2,1H3
InChIKeyYBVCOCRUTKOWDH-UHFFFAOYSA-N
MW208.15 g/mol
LogP3.32
Rot. Bonds2

About 1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene

1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene (PubChem CID 145450835) has the molecular formula C9H8F4O and a molecular weight of 208.15 g/mol. Its IUPAC name is 1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
PubChem CID145450835
Molecular FormulaC9H8F4O
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccc(OCF)c(C(F)(F)F)c1
InChIInChI=1S/C9H8F4O/c1-6-2-3-8(14-5-10)7(4-6)9(11,12)13/h2-4H,5H2,1H3
InChIKeyYBVCOCRUTKOWDH-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene 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

4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene
CID 54396173
1,2-bis(fluoromethoxy)-4-methylbenzene
CID 57206944
1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
1-(difluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 118829512
1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 91496733
1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene
CID 91883597
2-(fluoromethoxy)-4-methylaniline
CID 123529275
4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene
CID 166607729
methyl [3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl] carbonate
CID 122645421
4-methyl-2-(trifluoromethyl)aniline
CID 2737710
1-(fluoromethoxy)-3,7-dimethylnaphthalene
CID 59795441
3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]benzoyl bromide
CID 121367531

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene (CID 145450835) is 1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene is Cc1ccc(OCF)c(C(F)(F)F)c1.
What is the InChIKey of 1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene?
The InChIKey is YBVCOCRUTKOWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O/c1-6-2-3-8(14-5-10)7(4-6)9(11,12)13/h2-4H,5H2,1H3.
What are the key properties of 1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene?
1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene has a molecular weight of 208.15 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 145450835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).