1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene

C12H13F5O — CID 162562728

IUPAC1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene
SMILESCCOCc1c(C)c(C)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C12H13F5O/c1-4-18-5-8-6(2)7(3)9(12(15,16)17)11(14)10(8)13/h4-5H2,1-3H3
InChIKeyWZASHYQHYIATFF-UHFFFAOYSA-N
MW268.22 g/mol
LogP4.14
Rot. Bonds3

About 1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene

1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene (PubChem CID 162562728) has the molecular formula C12H13F5O and a molecular weight of 268.22 g/mol. Its IUPAC name is 1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene
PubChem CID162562728
Molecular FormulaC12H13F5O
Molecular Weight268.22 g/mol
Exact Mass268.09
IUPAC Name1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene
SMILESCCOCc1c(C)c(C)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C12H13F5O/c1-4-18-5-8-6(2)7(3)9(12(15,16)17)11(14)10(8)13/h4-5H2,1-3H3
InChIKeyWZASHYQHYIATFF-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene (CID 162562728) is 1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene is CCOCc1c(C)c(C)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of 1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene?
The InChIKey is WZASHYQHYIATFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5O/c1-4-18-5-8-6(2)7(3)9(12(15,16)17)11(14)10(8)13/h4-5H2,1-3H3.
What are the key properties of 1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene?
1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene has a molecular weight of 268.22 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-2,3-difluoro-5,6-dimethyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 162562728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).