5,5,5-trifluoro-4-(1-fluoroethenoxy)pent-1-ene

C7H8F4O — CID 58860325

IUPAC5,5,5-trifluoro-4-(1-fluoroethenoxy)pent-1-ene
SMILESC=CCC(OC(=C)F)C(F)(F)F
InChIInChI=1S/C7H8F4O/c1-3-4-6(7(9,10)11)12-5(2)8/h3,6H,1-2,4H2
InChIKeyQGPHVZGRZKSBDH-UHFFFAOYSA-N
MW184.13 g/mol
LogP2.95
Rot. Bonds4

About 5,5,5-trifluoro-4-(1-fluoroethenoxy)pent-1-ene

5,5,5-trifluoro-4-(1-fluoroethenoxy)pent-1-ene (PubChem CID 58860325) has the molecular formula C7H8F4O and a molecular weight of 184.13 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-(1-fluoroethenoxy)pent-1-ene.

Molecular Properties

Compound Name5,5,5-trifluoro-4-(1-fluoroethenoxy)pent-1-ene
PubChem CID58860325
Molecular FormulaC7H8F4O
Molecular Weight184.13 g/mol
Exact Mass184.05
IUPAC Name5,5,5-trifluoro-4-(1-fluoroethenoxy)pent-1-ene
SMILESC=CCC(OC(=C)F)C(F)(F)F
InChIInChI=1S/C7H8F4O/c1-3-4-6(7(9,10)11)12-5(2)8/h3,6H,1-2,4H2
InChIKeyQGPHVZGRZKSBDH-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-(1-fluoroethenoxy)pent-1-ene?
The IUPAC name of 5,5,5-trifluoro-4-(1-fluoroethenoxy)pent-1-ene (CID 58860325) is 5,5,5-trifluoro-4-(1-fluoroethenoxy)pent-1-ene.
What is the SMILES notation for 5,5,5-trifluoro-4-(1-fluoroethenoxy)pent-1-ene?
The canonical SMILES for 5,5,5-trifluoro-4-(1-fluoroethenoxy)pent-1-ene is C=CCC(OC(=C)F)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-(1-fluoroethenoxy)pent-1-ene?
The InChIKey is QGPHVZGRZKSBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4O/c1-3-4-6(7(9,10)11)12-5(2)8/h3,6H,1-2,4H2.
What are the key properties of 5,5,5-trifluoro-4-(1-fluoroethenoxy)pent-1-ene?
5,5,5-trifluoro-4-(1-fluoroethenoxy)pent-1-ene has a molecular weight of 184.13 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-(1-fluoroethenoxy)pent-1-ene is sourced from PubChem (CID 58860325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).