1-ethoxy-2,3,4,5,6-pentafluorobenzene

C8H5F5O — CID 12664036

IUPAC1-ethoxy-2,3,4,5,6-pentafluorobenzene
SMILESCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H5F5O/c1-2-14-8-6(12)4(10)3(9)5(11)7(8)13/h2H2,1H3
InChIKeyFLGNTIVCWQYTGI-UHFFFAOYSA-N
MW212.12 g/mol
LogP2.78
Rot. Bonds2

About 1-ethoxy-2,3,4,5,6-pentafluorobenzene

1-ethoxy-2,3,4,5,6-pentafluorobenzene (PubChem CID 12664036) has the molecular formula C8H5F5O and a molecular weight of 212.12 g/mol. Its IUPAC name is 1-ethoxy-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-ethoxy-2,3,4,5,6-pentafluorobenzene
PubChem CID12664036
Molecular FormulaC8H5F5O
Molecular Weight212.12 g/mol
Exact Mass212.03
IUPAC Name1-ethoxy-2,3,4,5,6-pentafluorobenzene
SMILESCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H5F5O/c1-2-14-8-6(12)4(10)3(9)5(11)7(8)13/h2H2,1H3
InChIKeyFLGNTIVCWQYTGI-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 52.78
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-ethoxy-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-ethoxy-2,3,4,5,6-pentafluorobenzene (CID 12664036) is 1-ethoxy-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-ethoxy-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-ethoxy-2,3,4,5,6-pentafluorobenzene is CCOc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-ethoxy-2,3,4,5,6-pentafluorobenzene?
The InChIKey is FLGNTIVCWQYTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5O/c1-2-14-8-6(12)4(10)3(9)5(11)7(8)13/h2H2,1H3.
What are the key properties of 1-ethoxy-2,3,4,5,6-pentafluorobenzene?
1-ethoxy-2,3,4,5,6-pentafluorobenzene has a molecular weight of 212.12 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 12664036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).