1,2,3,4,5-pentafluoro-6-pentoxybenzene

C11H11F5O — CID 20825217

IUPAC1,2,3,4,5-pentafluoro-6-pentoxybenzene
SMILESCCCCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5O/c1-2-3-4-5-17-11-9(15)7(13)6(12)8(14)10(11)16/h2-5H2,1H3
InChIKeyZLVPRYYJQCILMH-UHFFFAOYSA-N
MW254.20 g/mol
LogP3.95
Rot. Bonds5

About 1,2,3,4,5-pentafluoro-6-pentoxybenzene

1,2,3,4,5-pentafluoro-6-pentoxybenzene (PubChem CID 20825217) has the molecular formula C11H11F5O and a molecular weight of 254.20 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-pentoxybenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-pentoxybenzene
PubChem CID20825217
Molecular FormulaC11H11F5O
Molecular Weight254.20 g/mol
Exact Mass254.07
IUPAC Name1,2,3,4,5-pentafluoro-6-pentoxybenzene
SMILESCCCCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5O/c1-2-3-4-5-17-11-9(15)7(13)6(12)8(14)10(11)16/h2-5H2,1H3
InChIKeyZLVPRYYJQCILMH-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 1,2,3,4,5-pentafluoro-6-pentoxybenzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-pentoxybenzene (CID 20825217) is 1,2,3,4,5-pentafluoro-6-pentoxybenzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-pentoxybenzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-pentoxybenzene is CCCCCOc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-pentoxybenzene?
The InChIKey is ZLVPRYYJQCILMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5O/c1-2-3-4-5-17-11-9(15)7(13)6(12)8(14)10(11)16/h2-5H2,1H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-pentoxybenzene?
1,2,3,4,5-pentafluoro-6-pentoxybenzene has a molecular weight of 254.20 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-pentoxybenzene is sourced from PubChem (CID 20825217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).