1-ethenoxy-2,2,3,3-tetrafluorobutane

C6H8F4O — CID 23056322

IUPAC1-ethenoxy-2,2,3,3-tetrafluorobutane
SMILESC=COCC(F)(F)C(C)(F)F
InChIInChI=1S/C6H8F4O/c1-3-11-4-6(9,10)5(2,7)8/h3H,1,4H2,2H3
InChIKeyZHAUNGQDOYFXQI-UHFFFAOYSA-N
MW172.12 g/mol
LogP2.44
Rot. Bonds4

About 1-ethenoxy-2,2,3,3-tetrafluorobutane

1-ethenoxy-2,2,3,3-tetrafluorobutane (PubChem CID 23056322) has the molecular formula C6H8F4O and a molecular weight of 172.12 g/mol. Its IUPAC name is 1-ethenoxy-2,2,3,3-tetrafluorobutane.

Molecular Properties

Compound Name1-ethenoxy-2,2,3,3-tetrafluorobutane
PubChem CID23056322
Molecular FormulaC6H8F4O
Molecular Weight172.12 g/mol
Exact Mass172.05
IUPAC Name1-ethenoxy-2,2,3,3-tetrafluorobutane
SMILESC=COCC(F)(F)C(C)(F)F
InChIInChI=1S/C6H8F4O/c1-3-11-4-6(9,10)5(2,7)8/h3H,1,4H2,2H3
InChIKeyZHAUNGQDOYFXQI-UHFFFAOYSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2,2,3,3-tetrafluorobutane?
The IUPAC name of 1-ethenoxy-2,2,3,3-tetrafluorobutane (CID 23056322) is 1-ethenoxy-2,2,3,3-tetrafluorobutane.
What is the SMILES notation for 1-ethenoxy-2,2,3,3-tetrafluorobutane?
The canonical SMILES for 1-ethenoxy-2,2,3,3-tetrafluorobutane is C=COCC(F)(F)C(C)(F)F.
What is the InChIKey of 1-ethenoxy-2,2,3,3-tetrafluorobutane?
The InChIKey is ZHAUNGQDOYFXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4O/c1-3-11-4-6(9,10)5(2,7)8/h3H,1,4H2,2H3.
What are the key properties of 1-ethenoxy-2,2,3,3-tetrafluorobutane?
1-ethenoxy-2,2,3,3-tetrafluorobutane has a molecular weight of 172.12 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,2,3,3-tetrafluorobutane is sourced from PubChem (CID 23056322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).