1-bromo-5-(2-fluoroethoxy)pentane

C7H14BrFO — CID 10889229

IUPAC1-bromo-5-(2-fluoroethoxy)pentane
SMILESFCCOCCCCCBr
InChIInChI=1S/C7H14BrFO/c8-4-2-1-3-6-10-7-5-9/h1-7H2
InChIKeyZJJOWEMAMCINOR-UHFFFAOYSA-N
MW213.09 g/mol
LogP2.54
Rot. Bonds7

About 1-bromo-5-(2-fluoroethoxy)pentane

1-bromo-5-(2-fluoroethoxy)pentane (PubChem CID 10889229) has the molecular formula C7H14BrFO and a molecular weight of 213.09 g/mol. Its IUPAC name is 1-bromo-5-(2-fluoroethoxy)pentane.

Molecular Properties

Compound Name1-bromo-5-(2-fluoroethoxy)pentane
PubChem CID10889229
Molecular FormulaC7H14BrFO
Molecular Weight213.09 g/mol
Exact Mass212.02
IUPAC Name1-bromo-5-(2-fluoroethoxy)pentane
SMILESFCCOCCCCCBr
InChIInChI=1S/C7H14BrFO/c8-4-2-1-3-6-10-7-5-9/h1-7H2
InChIKeyZJJOWEMAMCINOR-UHFFFAOYSA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.09
LogP ≤ 52.54
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(2-fluoroethoxy)pentane?
The IUPAC name of 1-bromo-5-(2-fluoroethoxy)pentane (CID 10889229) is 1-bromo-5-(2-fluoroethoxy)pentane.
What is the SMILES notation for 1-bromo-5-(2-fluoroethoxy)pentane?
The canonical SMILES for 1-bromo-5-(2-fluoroethoxy)pentane is FCCOCCCCCBr.
What is the InChIKey of 1-bromo-5-(2-fluoroethoxy)pentane?
The InChIKey is ZJJOWEMAMCINOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrFO/c8-4-2-1-3-6-10-7-5-9/h1-7H2.
What are the key properties of 1-bromo-5-(2-fluoroethoxy)pentane?
1-bromo-5-(2-fluoroethoxy)pentane has a molecular weight of 213.09 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(2-fluoroethoxy)pentane is sourced from PubChem (CID 10889229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).