1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene

C11H10F6O — CID 90702752

IUPAC1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene
SMILESCCOCc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C11H10F6O/c1-2-18-6-7-3-4-8(10(12,13)14)5-9(7)11(15,16)17/h3-5H,2,6H2,1H3
InChIKeyNGIIVBGLPTVMLV-UHFFFAOYSA-N
MW272.19 g/mol
LogP4.26
Rot. Bonds3

About 1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene

1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene (PubChem CID 90702752) has the molecular formula C11H10F6O and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene
PubChem CID90702752
Molecular FormulaC11H10F6O
Molecular Weight272.19 g/mol
Exact Mass272.06
IUPAC Name1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene
SMILESCCOCc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C11H10F6O/c1-2-18-6-7-3-4-8(10(12,13)14)5-9(7)11(15,16)17/h3-5H,2,6H2,1H3
InChIKeyNGIIVBGLPTVMLV-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene?
The IUPAC name of 1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene (CID 90702752) is 1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene is CCOCc1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene?
The InChIKey is NGIIVBGLPTVMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O/c1-2-18-6-7-3-4-8(10(12,13)14)5-9(7)11(15,16)17/h3-5H,2,6H2,1H3.
What are the key properties of 1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene?
1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene has a molecular weight of 272.19 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 90702752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).