4-(1,2,2-trifluoroethenoxy)but-1-ene

C6H7F3O — CID 71406867

IUPAC4-(1,2,2-trifluoroethenoxy)but-1-ene
SMILESC=CCCOC(F)=C(F)F
InChIInChI=1S/C6H7F3O/c1-2-3-4-10-6(9)5(7)8/h2H,1,3-4H2
InChIKeyDFHPOIODNKJREU-UHFFFAOYSA-N
MW152.11 g/mol
LogP2.61
Rot. Bonds4

About 4-(1,2,2-trifluoroethenoxy)but-1-ene

4-(1,2,2-trifluoroethenoxy)but-1-ene (PubChem CID 71406867) has the molecular formula C6H7F3O and a molecular weight of 152.11 g/mol. Its IUPAC name is 4-(1,2,2-trifluoroethenoxy)but-1-ene.

Molecular Properties

Compound Name4-(1,2,2-trifluoroethenoxy)but-1-ene
PubChem CID71406867
Molecular FormulaC6H7F3O
Molecular Weight152.11 g/mol
Exact Mass152.04
IUPAC Name4-(1,2,2-trifluoroethenoxy)but-1-ene
SMILESC=CCCOC(F)=C(F)F
InChIInChI=1S/C6H7F3O/c1-2-3-4-10-6(9)5(7)8/h2H,1,3-4H2
InChIKeyDFHPOIODNKJREU-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 52.61
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,2-trifluoroethenoxy)but-1-ene?
The IUPAC name of 4-(1,2,2-trifluoroethenoxy)but-1-ene (CID 71406867) is 4-(1,2,2-trifluoroethenoxy)but-1-ene.
What is the SMILES notation for 4-(1,2,2-trifluoroethenoxy)but-1-ene?
The canonical SMILES for 4-(1,2,2-trifluoroethenoxy)but-1-ene is C=CCCOC(F)=C(F)F.
What is the InChIKey of 4-(1,2,2-trifluoroethenoxy)but-1-ene?
The InChIKey is DFHPOIODNKJREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O/c1-2-3-4-10-6(9)5(7)8/h2H,1,3-4H2.
What are the key properties of 4-(1,2,2-trifluoroethenoxy)but-1-ene?
4-(1,2,2-trifluoroethenoxy)but-1-ene has a molecular weight of 152.11 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,2-trifluoroethenoxy)but-1-ene is sourced from PubChem (CID 71406867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).