1-(2-ethenoxyethoxy)-2,3,4,5,6-pentafluorobenzene

C10H7F5O2 — CID 22709024

IUPAC1-(2-ethenoxyethoxy)-2,3,4,5,6-pentafluorobenzene
SMILESC=COCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H7F5O2/c1-2-16-3-4-17-10-8(14)6(12)5(11)7(13)9(10)15/h2H,1,3-4H2
InChIKeyFMWVTOSPDORJOT-UHFFFAOYSA-N
MW254.15 g/mol
LogP2.92
Rot. Bonds5

About 1-(2-ethenoxyethoxy)-2,3,4,5,6-pentafluorobenzene

1-(2-ethenoxyethoxy)-2,3,4,5,6-pentafluorobenzene (PubChem CID 22709024) has the molecular formula C10H7F5O2 and a molecular weight of 254.15 g/mol. Its IUPAC name is 1-(2-ethenoxyethoxy)-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-(2-ethenoxyethoxy)-2,3,4,5,6-pentafluorobenzene
PubChem CID22709024
Molecular FormulaC10H7F5O2
Molecular Weight254.15 g/mol
Exact Mass254.04
IUPAC Name1-(2-ethenoxyethoxy)-2,3,4,5,6-pentafluorobenzene
SMILESC=COCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H7F5O2/c1-2-16-3-4-17-10-8(14)6(12)5(11)7(13)9(10)15/h2H,1,3-4H2
InChIKeyFMWVTOSPDORJOT-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethenoxyethoxy)-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-(2-ethenoxyethoxy)-2,3,4,5,6-pentafluorobenzene (CID 22709024) is 1-(2-ethenoxyethoxy)-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-(2-ethenoxyethoxy)-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-(2-ethenoxyethoxy)-2,3,4,5,6-pentafluorobenzene is C=COCCOc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(2-ethenoxyethoxy)-2,3,4,5,6-pentafluorobenzene?
The InChIKey is FMWVTOSPDORJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O2/c1-2-16-3-4-17-10-8(14)6(12)5(11)7(13)9(10)15/h2H,1,3-4H2.
What are the key properties of 1-(2-ethenoxyethoxy)-2,3,4,5,6-pentafluorobenzene?
1-(2-ethenoxyethoxy)-2,3,4,5,6-pentafluorobenzene has a molecular weight of 254.15 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethoxy)-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 22709024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).