4-ethenoxy-1,1,1-trifluorobutane

C6H9F3O — CID 82788398

IUPAC4-ethenoxy-1,1,1-trifluorobutane
SMILESC=COCCCC(F)(F)F
InChIInChI=1S/C6H9F3O/c1-2-10-5-3-4-6(7,8)9/h2H,1,3-5H2
InChIKeyOJFQWWHYYRWADQ-UHFFFAOYSA-N
MW154.13 g/mol
LogP2.49
Rot. Bonds4

About 4-ethenoxy-1,1,1-trifluorobutane

4-ethenoxy-1,1,1-trifluorobutane (PubChem CID 82788398) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 4-ethenoxy-1,1,1-trifluorobutane.

Molecular Properties

Compound Name4-ethenoxy-1,1,1-trifluorobutane
PubChem CID82788398
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name4-ethenoxy-1,1,1-trifluorobutane
SMILESC=COCCCC(F)(F)F
InChIInChI=1S/C6H9F3O/c1-2-10-5-3-4-6(7,8)9/h2H,1,3-5H2
InChIKeyOJFQWWHYYRWADQ-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-1,1,1-trifluorobutane?
The IUPAC name of 4-ethenoxy-1,1,1-trifluorobutane (CID 82788398) is 4-ethenoxy-1,1,1-trifluorobutane.
What is the SMILES notation for 4-ethenoxy-1,1,1-trifluorobutane?
The canonical SMILES for 4-ethenoxy-1,1,1-trifluorobutane is C=COCCCC(F)(F)F.
What is the InChIKey of 4-ethenoxy-1,1,1-trifluorobutane?
The InChIKey is OJFQWWHYYRWADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-2-10-5-3-4-6(7,8)9/h2H,1,3-5H2.
What are the key properties of 4-ethenoxy-1,1,1-trifluorobutane?
4-ethenoxy-1,1,1-trifluorobutane has a molecular weight of 154.13 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-1,1,1-trifluorobutane is sourced from PubChem (CID 82788398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).