1,4-bis(2,2,2-trifluoroethoxy)benzene

C10H8F6O2 — CID 737156

IUPAC1,4-bis(2,2,2-trifluoroethoxy)benzene
SMILESFC(F)(F)COc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C10H8F6O2/c11-9(12,13)5-17-7-1-2-8(4-3-7)18-6-10(14,15)16/h1-4H,5-6H2
InChIKeyZHUBFESHPMGIDZ-UHFFFAOYSA-N
MW274.16 g/mol
LogP3.57
Rot. Bonds4

About 1,4-bis(2,2,2-trifluoroethoxy)benzene

1,4-bis(2,2,2-trifluoroethoxy)benzene (PubChem CID 737156) has the molecular formula C10H8F6O2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1,4-bis(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1,4-bis(2,2,2-trifluoroethoxy)benzene
PubChem CID737156
Molecular FormulaC10H8F6O2
Molecular Weight274.16 g/mol
Exact Mass274.04
IUPAC Name1,4-bis(2,2,2-trifluoroethoxy)benzene
SMILESFC(F)(F)COc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C10H8F6O2/c11-9(12,13)5-17-7-1-2-8(4-3-7)18-6-10(14,15)16/h1-4H,5-6H2
InChIKeyZHUBFESHPMGIDZ-UHFFFAOYSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1,4-bis(2,2,2-trifluoroethoxy)benzene (CID 737156) is 1,4-bis(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1,4-bis(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1,4-bis(2,2,2-trifluoroethoxy)benzene is FC(F)(F)COc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 1,4-bis(2,2,2-trifluoroethoxy)benzene?
The InChIKey is ZHUBFESHPMGIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O2/c11-9(12,13)5-17-7-1-2-8(4-3-7)18-6-10(14,15)16/h1-4H,5-6H2.
What are the key properties of 1,4-bis(2,2,2-trifluoroethoxy)benzene?
1,4-bis(2,2,2-trifluoroethoxy)benzene has a molecular weight of 274.16 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 737156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).