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

C8H16F2O — CID 69303552

IUPAC1-fluoro-1-(1-fluorobutoxy)butane
SMILESCCCC(F)OC(F)CCC
InChIInChI=1S/C8H16F2O/c1-3-5-7(9)11-8(10)6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyNBDMXAIRNRYKAB-UHFFFAOYSA-N
MW166.21 g/mol
LogP3.19
Rot. Bonds6

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

1-fluoro-1-(1-fluorobutoxy)butane (PubChem CID 69303552) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 1-fluoro-1-(1-fluorobutoxy)butane.

Molecular Properties

Compound Name1-fluoro-1-(1-fluorobutoxy)butane
PubChem CID69303552
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name1-fluoro-1-(1-fluorobutoxy)butane
SMILESCCCC(F)OC(F)CCC
InChIInChI=1S/C8H16F2O/c1-3-5-7(9)11-8(10)6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyNBDMXAIRNRYKAB-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(1-fluorobutoxy)butane?
The IUPAC name of 1-fluoro-1-(1-fluorobutoxy)butane (CID 69303552) is 1-fluoro-1-(1-fluorobutoxy)butane.
What is the SMILES notation for 1-fluoro-1-(1-fluorobutoxy)butane?
The canonical SMILES for 1-fluoro-1-(1-fluorobutoxy)butane is CCCC(F)OC(F)CCC.
What is the InChIKey of 1-fluoro-1-(1-fluorobutoxy)butane?
The InChIKey is NBDMXAIRNRYKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O/c1-3-5-7(9)11-8(10)6-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-fluoro-1-(1-fluorobutoxy)butane?
1-fluoro-1-(1-fluorobutoxy)butane has a molecular weight of 166.21 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(1-fluorobutoxy)butane is sourced from PubChem (CID 69303552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).