2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene

C11H12ClF3O2 — CID 121390824

IUPAC2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
SMILESCc1ccc(OCCOCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H12ClF3O2/c1-8-2-3-10(9(12)6-8)17-5-4-16-7-11(13,14)15/h2-3,6H,4-5,7H2,1H3
InChIKeyGBDJAQGUCDMICQ-UHFFFAOYSA-N
MW268.66 g/mol
LogP3.61
Rot. Bonds5

About 2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene

2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene (PubChem CID 121390824) has the molecular formula C11H12ClF3O2 and a molecular weight of 268.66 g/mol. Its IUPAC name is 2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene.

Molecular Properties

Compound Name2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
PubChem CID121390824
Molecular FormulaC11H12ClF3O2
Molecular Weight268.66 g/mol
Exact Mass268.05
IUPAC Name2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
SMILESCc1ccc(OCCOCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H12ClF3O2/c1-8-2-3-10(9(12)6-8)17-5-4-16-7-11(13,14)15/h2-3,6H,4-5,7H2,1H3
InChIKeyGBDJAQGUCDMICQ-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 53.61
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-bromo-4-methyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 54961869
5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzenesulfonamide
CID 61490332
(1S)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 78947557
4-bromo-2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 63217061
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628
1-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 44828232
(2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2184444
2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethanol
CID 61075702
8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline
CID 2283062
N-[2-(2-chloro-4-methylphenoxy)ethyl]-2-methylpropan-2-amine
CID 2261894
(1R)-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 63639457
5-bromo-2-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
CID 65429422

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene?
The IUPAC name of 2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene (CID 121390824) is 2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene.
What is the SMILES notation for 2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene?
The canonical SMILES for 2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene is Cc1ccc(OCCOCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene?
The InChIKey is GBDJAQGUCDMICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O2/c1-8-2-3-10(9(12)6-8)17-5-4-16-7-11(13,14)15/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene?
2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene has a molecular weight of 268.66 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene is sourced from PubChem (CID 121390824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).