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

C8H4ClF5O — CID 43607848

IUPAC1-(2-chloroethoxy)-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(OCCCl)c(F)c1F
InChIInChI=1S/C8H4ClF5O/c9-1-2-15-8-6(13)4(11)3(10)5(12)7(8)14/h1-2H2
InChIKeyRPXOFROOAPWEMN-UHFFFAOYSA-N
MW246.56 g/mol
LogP3.00
Rot. Bonds3

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

1-(2-chloroethoxy)-2,3,4,5,6-pentafluorobenzene (PubChem CID 43607848) has the molecular formula C8H4ClF5O and a molecular weight of 246.56 g/mol. Its IUPAC name is 1-(2-chloroethoxy)-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-(2-chloroethoxy)-2,3,4,5,6-pentafluorobenzene
PubChem CID43607848
Molecular FormulaC8H4ClF5O
Molecular Weight246.56 g/mol
Exact Mass245.99
IUPAC Name1-(2-chloroethoxy)-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(OCCCl)c(F)c1F
InChIInChI=1S/C8H4ClF5O/c9-1-2-15-8-6(13)4(11)3(10)5(12)7(8)14/h1-2H2
InChIKeyRPXOFROOAPWEMN-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.56
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-chloroethoxy)-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-(2-chloroethoxy)-2,3,4,5,6-pentafluorobenzene (CID 43607848) is 1-(2-chloroethoxy)-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-(2-chloroethoxy)-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-(2-chloroethoxy)-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(OCCCl)c(F)c1F.
What is the InChIKey of 1-(2-chloroethoxy)-2,3,4,5,6-pentafluorobenzene?
The InChIKey is RPXOFROOAPWEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF5O/c9-1-2-15-8-6(13)4(11)3(10)5(12)7(8)14/h1-2H2.
What are the key properties of 1-(2-chloroethoxy)-2,3,4,5,6-pentafluorobenzene?
1-(2-chloroethoxy)-2,3,4,5,6-pentafluorobenzene has a molecular weight of 246.56 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethoxy)-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 43607848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).