1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene

C12H15F3O2 — CID 167413999

IUPAC1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene
SMILESCOCCc1cccc(CCOC(F)(F)F)c1
InChIInChI=1S/C12H15F3O2/c1-16-7-5-10-3-2-4-11(9-10)6-8-17-12(13,14)15/h2-4,9H,5-8H2,1H3
InChIKeyCLOPVJMXLCWRLN-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.95
Rot. Bonds6

About 1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene

1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene (PubChem CID 167413999) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene
PubChem CID167413999
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene
SMILESCOCCc1cccc(CCOC(F)(F)F)c1
InChIInChI=1S/C12H15F3O2/c1-16-7-5-10-3-2-4-11(9-10)6-8-17-12(13,14)15/h2-4,9H,5-8H2,1H3
InChIKeyCLOPVJMXLCWRLN-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl phenethyl ether
CID 19089
3-Methylbenzeneethanol
CID 74648
Benzene, (2-ethoxyethyl)-
CID 74556
Butyl phenethyl ether
CID 79240
Benzenepropanol, 3-(trifluoromethyl)-
CID 18755618
Silicic acid, ethyl 2-phenylethyl ester
CID 138395832
3-(Trifluoromethyl)phenethylic alcohol
CID 95926
1-(3-Trifluoromethylphenyl)-2-propanol
CID 150791
Methyl (3-(trifluoromethyl)phenyl)acetate
CID 2734603
2,2-Difluoro-2-phenylethanol
CID 9793891
2-Phenylethyl trifluoroacetate
CID 568853
m-Xylene-alpha,alpha'-dioxirane
CID 115712

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene?
The IUPAC name of 1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene (CID 167413999) is 1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene?
The canonical SMILES for 1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene is COCCc1cccc(CCOC(F)(F)F)c1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene?
The InChIKey is CLOPVJMXLCWRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-16-7-5-10-3-2-4-11(9-10)6-8-17-12(13,14)15/h2-4,9H,5-8H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene?
1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene has a molecular weight of 248.24 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene is sourced from PubChem (CID 167413999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).