1-fluoro-4-(4-fluorobutoxy)butane

C8H16F2O — CID 11632

IUPAC1-fluoro-4-(4-fluorobutoxy)butane
SMILESFCCCCOCCCCF
InChIInChI=1S/C8H16F2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2
InChIKeyBYTYDSUKTOLPQA-UHFFFAOYSA-N
MW166.21 g/mol
LogP2.50
Rot. Bonds8

About 1-fluoro-4-(4-fluorobutoxy)butane

1-fluoro-4-(4-fluorobutoxy)butane (PubChem CID 11632) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 1-fluoro-4-(4-fluorobutoxy)butane.

Molecular Properties

Compound Name1-fluoro-4-(4-fluorobutoxy)butane
PubChem CID11632
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name1-fluoro-4-(4-fluorobutoxy)butane
SMILESFCCCCOCCCCF
InChIInChI=1S/C8H16F2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2
InChIKeyBYTYDSUKTOLPQA-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-fluorobutoxy)butane?
The IUPAC name of 1-fluoro-4-(4-fluorobutoxy)butane (CID 11632) is 1-fluoro-4-(4-fluorobutoxy)butane.
What is the SMILES notation for 1-fluoro-4-(4-fluorobutoxy)butane?
The canonical SMILES for 1-fluoro-4-(4-fluorobutoxy)butane is FCCCCOCCCCF.
What is the InChIKey of 1-fluoro-4-(4-fluorobutoxy)butane?
The InChIKey is BYTYDSUKTOLPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2.
What are the key properties of 1-fluoro-4-(4-fluorobutoxy)butane?
1-fluoro-4-(4-fluorobutoxy)butane has a molecular weight of 166.21 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-fluorobutoxy)butane is sourced from PubChem (CID 11632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).