1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene

C12H12F6O2 — CID 70789750

IUPAC1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene
SMILESCCOCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H12F6O2/c1-2-19-3-4-20-10-6-8(11(13,14)15)5-9(7-10)12(16,17)18/h5-7H,2-4H2,1H3
InChIKeyGWAJLKXPMOKZEL-UHFFFAOYSA-N
MW302.21 g/mol
LogP4.14
Rot. Bonds5

About 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene

1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene (PubChem CID 70789750) has the molecular formula C12H12F6O2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene
PubChem CID70789750
Molecular FormulaC12H12F6O2
Molecular Weight302.21 g/mol
Exact Mass302.07
IUPAC Name1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene
SMILESCCOCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H12F6O2/c1-2-19-3-4-20-10-6-8(11(13,14)15)5-9(7-10)12(16,17)18/h5-7H,2-4H2,1H3
InChIKeyGWAJLKXPMOKZEL-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene (CID 70789750) is 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene is CCOCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene?
The InChIKey is GWAJLKXPMOKZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6O2/c1-2-19-3-4-20-10-6-8(11(13,14)15)5-9(7-10)12(16,17)18/h5-7H,2-4H2,1H3.
What are the key properties of 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene?
1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene has a molecular weight of 302.21 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 70789750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).