1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene

C10F10O2 — CID 87818958

IUPAC1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene
SMILESFC(F)=C(F)Oc1c(F)c(F)c(OC(F)=C(F)F)c(F)c1F
InChIInChI=1S/C10F10O2/c11-1-2(12)6(22-10(20)8(17)18)4(14)3(13)5(1)21-9(19)7(15)16
InChIKeyFRQHFLUDSDIJEC-UHFFFAOYSA-N
MW342.09 g/mol
LogP5.07
Rot. Bonds4

About 1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene

1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene (PubChem CID 87818958) has the molecular formula C10F10O2 and a molecular weight of 342.09 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene
PubChem CID87818958
Molecular FormulaC10F10O2
Molecular Weight342.09 g/mol
Exact Mass341.97
IUPAC Name1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene
SMILESFC(F)=C(F)Oc1c(F)c(F)c(OC(F)=C(F)F)c(F)c1F
InChIInChI=1S/C10F10O2/c11-1-2(12)6(22-10(20)8(17)18)4(14)3(13)5(1)21-9(19)7(15)16
InChIKeyFRQHFLUDSDIJEC-UHFFFAOYSA-N
XLogP5.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.09
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene (CID 87818958) is 1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene is FC(F)=C(F)Oc1c(F)c(F)c(OC(F)=C(F)F)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene?
The InChIKey is FRQHFLUDSDIJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F10O2/c11-1-2(12)6(22-10(20)8(17)18)4(14)3(13)5(1)21-9(19)7(15)16.
What are the key properties of 1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene?
1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene has a molecular weight of 342.09 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene is sourced from PubChem (CID 87818958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).