1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene

C11H13F3O2 — CID 81004746

IUPAC1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene
SMILESCc1ccc(C)c(OCCOC(F)(F)F)c1
InChIInChI=1S/C11H13F3O2/c1-8-3-4-9(2)10(7-8)15-5-6-16-11(12,13)14/h3-4,7H,5-6H2,1-2H3
InChIKeyBNVRORMTXAAUFS-UHFFFAOYSA-N
MW234.22 g/mol
LogP3.22
Rot. Bonds4

About 1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene

1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene (PubChem CID 81004746) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene
PubChem CID81004746
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene
SMILESCc1ccc(C)c(OCCOC(F)(F)F)c1
InChIInChI=1S/C11H13F3O2/c1-8-3-4-9(2)10(7-8)15-5-6-16-11(12,13)14/h3-4,7H,5-6H2,1-2H3
InChIKeyBNVRORMTXAAUFS-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene
CID 58550881
1,4-dimethyl-2-pentoxybenzene
CID 59184214
2-(5-chloropentoxy)-1,4-dimethylbenzene
CID 43168528
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
2-hex-5-ynoxy-1,4-dimethylbenzene
CID 82363036
2-(5,5-dimethoxy-4,4-dimethylpentoxy)-1,4-dimethylbenzene
CID 69082461
2-but-3-ynoxy-1,4-dimethylbenzene
CID 63657851
4-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22681502
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
(2,5-dimethylphenoxy)methanamine
CID 89376053
1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene
CID 112727927

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene?
The IUPAC name of 1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene (CID 81004746) is 1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene.
What is the SMILES notation for 1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene?
The canonical SMILES for 1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene is Cc1ccc(C)c(OCCOC(F)(F)F)c1.
What is the InChIKey of 1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene?
The InChIKey is BNVRORMTXAAUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-8-3-4-9(2)10(7-8)15-5-6-16-11(12,13)14/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene?
1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene has a molecular weight of 234.22 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene is sourced from PubChem (CID 81004746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).