1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene

C10H11F3O2 — CID 118269087

IUPAC1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene
SMILESCCOc1cccc(C)c1OC(F)(F)F
InChIInChI=1S/C10H11F3O2/c1-3-14-8-6-4-5-7(2)9(8)15-10(11,12)13/h4-6H,3H2,1-2H3
InChIKeyKPTCGXQAZMBXLY-UHFFFAOYSA-N
MW220.19 g/mol
LogP3.29
Rot. Bonds3

About 1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene

1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene (PubChem CID 118269087) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene
PubChem CID118269087
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene
SMILESCCOc1cccc(C)c1OC(F)(F)F
InChIInChI=1S/C10H11F3O2/c1-3-14-8-6-4-5-7(2)9(8)15-10(11,12)13/h4-6H,3H2,1-2H3
InChIKeyKPTCGXQAZMBXLY-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-propoxy-2-(trifluoromethoxy)benzene
CID 118268763
1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene
CID 171027360
1-(3-bromopropyl)-3-ethoxy-2-(trifluoromethoxy)benzene
CID 118818980
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
1-bromo-1-[3-ethoxy-2-(trifluoromethoxy)phenyl]propan-2-one
CID 134615885
1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene
CID 134622447
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
1-ethoxy-4-iodo-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene
CID 171003964
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
2-ethoxy-6-methylphenol
CID 14911944
2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine
CID 66967533
CID 175083102
CID 175083102

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene (CID 118269087) is 1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene is CCOc1cccc(C)c1OC(F)(F)F.
What is the InChIKey of 1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene?
The InChIKey is KPTCGXQAZMBXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-3-14-8-6-4-5-7(2)9(8)15-10(11,12)13/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene?
1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene has a molecular weight of 220.19 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 118269087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).