1,1,1,2,2,3,3,4-octafluoro-4-methoxybutane

C5H4F8O — CID 14272782

IUPAC1,1,1,2,2,3,3,4-octafluoro-4-methoxybutane
SMILESCOC(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F8O/c1-14-2(6)3(7,8)4(9,10)5(11,12)13/h2H,1H3
InChIKeyAVFOBGDLSNTSHP-UHFFFAOYSA-N
MW232.07 g/mol
LogP2.76
Rot. Bonds3

About 1,1,1,2,2,3,3,4-octafluoro-4-methoxybutane

1,1,1,2,2,3,3,4-octafluoro-4-methoxybutane (PubChem CID 14272782) has the molecular formula C5H4F8O and a molecular weight of 232.07 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4-octafluoro-4-methoxybutane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4-octafluoro-4-methoxybutane
PubChem CID14272782
Molecular FormulaC5H4F8O
Molecular Weight232.07 g/mol
Exact Mass232.01
IUPAC Name1,1,1,2,2,3,3,4-octafluoro-4-methoxybutane
SMILESCOC(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F8O/c1-14-2(6)3(7,8)4(9,10)5(11,12)13/h2H,1H3
InChIKeyAVFOBGDLSNTSHP-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4-octafluoro-4-methoxybutane?
The IUPAC name of 1,1,1,2,2,3,3,4-octafluoro-4-methoxybutane (CID 14272782) is 1,1,1,2,2,3,3,4-octafluoro-4-methoxybutane.
What is the SMILES notation for 1,1,1,2,2,3,3,4-octafluoro-4-methoxybutane?
The canonical SMILES for 1,1,1,2,2,3,3,4-octafluoro-4-methoxybutane is COC(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4-octafluoro-4-methoxybutane?
The InChIKey is AVFOBGDLSNTSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O/c1-14-2(6)3(7,8)4(9,10)5(11,12)13/h2H,1H3.
What are the key properties of 1,1,1,2,2,3,3,4-octafluoro-4-methoxybutane?
1,1,1,2,2,3,3,4-octafluoro-4-methoxybutane has a molecular weight of 232.07 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4-octafluoro-4-methoxybutane is sourced from PubChem (CID 14272782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).