1-(2,2-difluoroethoxy)-3-ethenyl-2,4,5,6-tetrafluorobenzene

C10H6F6O — CID 89344984

IUPAC1-(2,2-difluoroethoxy)-3-ethenyl-2,4,5,6-tetrafluorobenzene
SMILESC=Cc1c(F)c(F)c(F)c(OCC(F)F)c1F
InChIInChI=1S/C10H6F6O/c1-2-4-6(13)8(15)9(16)10(7(4)14)17-3-5(11)12/h2,5H,1,3H2
InChIKeyFJTCUKRHODXVJA-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.53
Rot. Bonds4

About 1-(2,2-difluoroethoxy)-3-ethenyl-2,4,5,6-tetrafluorobenzene

1-(2,2-difluoroethoxy)-3-ethenyl-2,4,5,6-tetrafluorobenzene (PubChem CID 89344984) has the molecular formula C10H6F6O and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-3-ethenyl-2,4,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-3-ethenyl-2,4,5,6-tetrafluorobenzene
PubChem CID89344984
Molecular FormulaC10H6F6O
Molecular Weight256.14 g/mol
Exact Mass256.03
IUPAC Name1-(2,2-difluoroethoxy)-3-ethenyl-2,4,5,6-tetrafluorobenzene
SMILESC=Cc1c(F)c(F)c(F)c(OCC(F)F)c1F
InChIInChI=1S/C10H6F6O/c1-2-4-6(13)8(15)9(16)10(7(4)14)17-3-5(11)12/h2,5H,1,3H2
InChIKeyFJTCUKRHODXVJA-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-3-ethenyl-2,4,5,6-tetrafluorobenzene?
The IUPAC name of 1-(2,2-difluoroethoxy)-3-ethenyl-2,4,5,6-tetrafluorobenzene (CID 89344984) is 1-(2,2-difluoroethoxy)-3-ethenyl-2,4,5,6-tetrafluorobenzene.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-3-ethenyl-2,4,5,6-tetrafluorobenzene?
The canonical SMILES for 1-(2,2-difluoroethoxy)-3-ethenyl-2,4,5,6-tetrafluorobenzene is C=Cc1c(F)c(F)c(F)c(OCC(F)F)c1F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-3-ethenyl-2,4,5,6-tetrafluorobenzene?
The InChIKey is FJTCUKRHODXVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O/c1-2-4-6(13)8(15)9(16)10(7(4)14)17-3-5(11)12/h2,5H,1,3H2.
What are the key properties of 1-(2,2-difluoroethoxy)-3-ethenyl-2,4,5,6-tetrafluorobenzene?
1-(2,2-difluoroethoxy)-3-ethenyl-2,4,5,6-tetrafluorobenzene has a molecular weight of 256.14 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-3-ethenyl-2,4,5,6-tetrafluorobenzene is sourced from PubChem (CID 89344984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).