[1-methoxy-2-(trifluoromethoxy)ethyl]benzene

C10H11F3O2 — CID 138971637

IUPAC[1-methoxy-2-(trifluoromethoxy)ethyl]benzene
SMILESCOC(COC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H11F3O2/c1-14-9(7-15-10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyZQZNSZIBFOUWEY-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.91
Rot. Bonds4

About [1-methoxy-2-(trifluoromethoxy)ethyl]benzene

[1-methoxy-2-(trifluoromethoxy)ethyl]benzene (PubChem CID 138971637) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is [1-methoxy-2-(trifluoromethoxy)ethyl]benzene.

Molecular Properties

Compound Name[1-methoxy-2-(trifluoromethoxy)ethyl]benzene
PubChem CID138971637
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name[1-methoxy-2-(trifluoromethoxy)ethyl]benzene
SMILESCOC(COC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H11F3O2/c1-14-9(7-15-10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyZQZNSZIBFOUWEY-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Styrene Oxide
CID 7276
(S)-styrene oxide
CID 114946
1-Phenylethyl propionate
CID 8432
1-Phenylethyl Acetate
CID 62341
Benzyl ethyl ether
CID 10873
alpha-Methylbenzyl formate
CID 346286
2-(Benzyloxy) ethanol
CID 12141
Benzyl butyl ether
CID 61134
Benzyl methyl ether
CID 10869
(+)-Styrene oxide
CID 114705
Benzyl octyl ether
CID 347508
1-Phenylpropyl acetate
CID 101134

Frequently Asked Questions

What is the IUPAC name of [1-methoxy-2-(trifluoromethoxy)ethyl]benzene?
The IUPAC name of [1-methoxy-2-(trifluoromethoxy)ethyl]benzene (CID 138971637) is [1-methoxy-2-(trifluoromethoxy)ethyl]benzene.
What is the SMILES notation for [1-methoxy-2-(trifluoromethoxy)ethyl]benzene?
The canonical SMILES for [1-methoxy-2-(trifluoromethoxy)ethyl]benzene is COC(COC(F)(F)F)c1ccccc1.
What is the InChIKey of [1-methoxy-2-(trifluoromethoxy)ethyl]benzene?
The InChIKey is ZQZNSZIBFOUWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-14-9(7-15-10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of [1-methoxy-2-(trifluoromethoxy)ethyl]benzene?
[1-methoxy-2-(trifluoromethoxy)ethyl]benzene has a molecular weight of 220.19 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-2-(trifluoromethoxy)ethyl]benzene is sourced from PubChem (CID 138971637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).