2,2,3,3-tetrafluoro-1-methoxybutane

C5H8F4O — CID 59343885

IUPAC2,2,3,3-tetrafluoro-1-methoxybutane
SMILESCOCC(F)(F)C(C)(F)F
InChIInChI=1S/C5H8F4O/c1-4(6,7)5(8,9)3-10-2/h3H2,1-2H3
InChIKeyGYQVNJHZLLCFQZ-UHFFFAOYSA-N
MW160.11 g/mol
LogP1.92
Rot. Bonds3

About 2,2,3,3-tetrafluoro-1-methoxybutane

2,2,3,3-tetrafluoro-1-methoxybutane (PubChem CID 59343885) has the molecular formula C5H8F4O and a molecular weight of 160.11 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-methoxybutane.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-methoxybutane
PubChem CID59343885
Molecular FormulaC5H8F4O
Molecular Weight160.11 g/mol
Exact Mass160.05
IUPAC Name2,2,3,3-tetrafluoro-1-methoxybutane
SMILESCOCC(F)(F)C(C)(F)F
InChIInChI=1S/C5H8F4O/c1-4(6,7)5(8,9)3-10-2/h3H2,1-2H3
InChIKeyGYQVNJHZLLCFQZ-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.11
LogP ≤ 51.92
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 2,2,3,3-tetrafluoro-1-methoxybutane?
The IUPAC name of 2,2,3,3-tetrafluoro-1-methoxybutane (CID 59343885) is 2,2,3,3-tetrafluoro-1-methoxybutane.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-methoxybutane?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-methoxybutane is COCC(F)(F)C(C)(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-methoxybutane?
The InChIKey is GYQVNJHZLLCFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4O/c1-4(6,7)5(8,9)3-10-2/h3H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-1-methoxybutane?
2,2,3,3-tetrafluoro-1-methoxybutane has a molecular weight of 160.11 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-methoxybutane is sourced from PubChem (CID 59343885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).