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

C11H10ClF5O — CID 43607850

IUPAC1-(5-chloropentoxy)-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(OCCCCCCl)c(F)c1F
InChIInChI=1S/C11H10ClF5O/c12-4-2-1-3-5-18-11-9(16)7(14)6(13)8(15)10(11)17/h1-5H2
InChIKeyONAQPEBBMPYUEE-UHFFFAOYSA-N
MW288.64 g/mol
LogP4.17
Rot. Bonds6

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

1-(5-chloropentoxy)-2,3,4,5,6-pentafluorobenzene (PubChem CID 43607850) has the molecular formula C11H10ClF5O and a molecular weight of 288.64 g/mol. Its IUPAC name is 1-(5-chloropentoxy)-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-(5-chloropentoxy)-2,3,4,5,6-pentafluorobenzene
PubChem CID43607850
Molecular FormulaC11H10ClF5O
Molecular Weight288.64 g/mol
Exact Mass288.03
IUPAC Name1-(5-chloropentoxy)-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(OCCCCCCl)c(F)c1F
InChIInChI=1S/C11H10ClF5O/c12-4-2-1-3-5-18-11-9(16)7(14)6(13)8(15)10(11)17/h1-5H2
InChIKeyONAQPEBBMPYUEE-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.64
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(5-chloropentoxy)-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-(5-chloropentoxy)-2,3,4,5,6-pentafluorobenzene (CID 43607850) is 1-(5-chloropentoxy)-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-(5-chloropentoxy)-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-(5-chloropentoxy)-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(OCCCCCCl)c(F)c1F.
What is the InChIKey of 1-(5-chloropentoxy)-2,3,4,5,6-pentafluorobenzene?
The InChIKey is ONAQPEBBMPYUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF5O/c12-4-2-1-3-5-18-11-9(16)7(14)6(13)8(15)10(11)17/h1-5H2.
What are the key properties of 1-(5-chloropentoxy)-2,3,4,5,6-pentafluorobenzene?
1-(5-chloropentoxy)-2,3,4,5,6-pentafluorobenzene has a molecular weight of 288.64 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentoxy)-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 43607850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).