2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene

C11H10F6O2 — CID 171003967

IUPAC2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene
SMILESCCOc1c(OC(F)(F)F)cc(C)cc1C(F)(F)F
InChIInChI=1S/C11H10F6O2/c1-3-18-9-7(10(12,13)14)4-6(2)5-8(9)19-11(15,16)17/h4-5H,3H2,1-2H3
InChIKeyNKSGKMLKINGDMN-UHFFFAOYSA-N
MW288.19 g/mol
LogP4.31
Rot. Bonds3

About 2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene

2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene (PubChem CID 171003967) has the molecular formula C11H10F6O2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene
PubChem CID171003967
Molecular FormulaC11H10F6O2
Molecular Weight288.19 g/mol
Exact Mass288.06
IUPAC Name2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene
SMILESCCOc1c(OC(F)(F)F)cc(C)cc1C(F)(F)F
InChIInChI=1S/C11H10F6O2/c1-3-18-9-7(10(12,13)14)4-6(2)5-8(9)19-11(15,16)17/h4-5H,3H2,1-2H3
InChIKeyNKSGKMLKINGDMN-UHFFFAOYSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 170999648
1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene
CID 59592266
1-ethoxy-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171003510
1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 170999647
1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene
CID 146247201
1-ethoxy-4-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171003917
5-methyl-2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-1,3-bis(trifluoromethyl)benzene
CID 21350863
5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171003077
1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene
CID 118269087
1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 145450835
ethyl 2-[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]acetate
CID 170999588
5-bromo-2-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene
CID 171009395

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene?
The IUPAC name of 2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene (CID 171003967) is 2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene is CCOc1c(OC(F)(F)F)cc(C)cc1C(F)(F)F.
What is the InChIKey of 2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene?
The InChIKey is NKSGKMLKINGDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O2/c1-3-18-9-7(10(12,13)14)4-6(2)5-8(9)19-11(15,16)17/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene?
2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene has a molecular weight of 288.19 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 171003967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).