2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene

C10H7F7O2 — CID 155575031

IUPAC2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene
SMILESFc1cc(F)c(OCC(F)F)c(F)c1OCC(F)F
InChIInChI=1S/C10H7F7O2/c11-4-1-5(12)10(19-3-7(15)16)8(17)9(4)18-2-6(13)14/h1,6-7H,2-3H2
InChIKeySUIBRYSPYPSAQY-UHFFFAOYSA-N
MW292.15 g/mol
LogP3.39
Rot. Bonds6

About 2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene

2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene (PubChem CID 155575031) has the molecular formula C10H7F7O2 and a molecular weight of 292.15 g/mol. Its IUPAC name is 2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene.

Molecular Properties

Compound Name2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene
PubChem CID155575031
Molecular FormulaC10H7F7O2
Molecular Weight292.15 g/mol
Exact Mass292.03
IUPAC Name2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene
SMILESFc1cc(F)c(OCC(F)F)c(F)c1OCC(F)F
InChIInChI=1S/C10H7F7O2/c11-4-1-5(12)10(19-3-7(15)16)8(17)9(4)18-2-6(13)14/h1,6-7H,2-3H2
InChIKeySUIBRYSPYPSAQY-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene?
The IUPAC name of 2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene (CID 155575031) is 2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene.
What is the SMILES notation for 2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene?
The canonical SMILES for 2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene is Fc1cc(F)c(OCC(F)F)c(F)c1OCC(F)F.
What is the InChIKey of 2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene?
The InChIKey is SUIBRYSPYPSAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F7O2/c11-4-1-5(12)10(19-3-7(15)16)8(17)9(4)18-2-6(13)14/h1,6-7H,2-3H2.
What are the key properties of 2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene?
2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene has a molecular weight of 292.15 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene is sourced from PubChem (CID 155575031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).