3-ethenoxy-1,1,4-trifluoropentane

C7H11F3O — CID 57011993

IUPAC3-ethenoxy-1,1,4-trifluoropentane
SMILESC=COC(CC(F)F)C(C)F
InChIInChI=1S/C7H11F3O/c1-3-11-6(5(2)8)4-7(9)10/h3,5-7H,1,4H2,2H3
InChIKeyKNKCMYJTZIHJNL-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.53
Rot. Bonds5

About 3-ethenoxy-1,1,4-trifluoropentane

3-ethenoxy-1,1,4-trifluoropentane (PubChem CID 57011993) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 3-ethenoxy-1,1,4-trifluoropentane.

Molecular Properties

Compound Name3-ethenoxy-1,1,4-trifluoropentane
PubChem CID57011993
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name3-ethenoxy-1,1,4-trifluoropentane
SMILESC=COC(CC(F)F)C(C)F
InChIInChI=1S/C7H11F3O/c1-3-11-6(5(2)8)4-7(9)10/h3,5-7H,1,4H2,2H3
InChIKeyKNKCMYJTZIHJNL-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoro-2-(1-fluoroethenoxy)propane
CID 20612572
2-Ethenoxy-1,1,1,3,3,3-hexafluoropropane
CID 23167563
3-Ethenoxy-1,1,1,2,2,4,4,5-octafluoropentane
CID 53642174
2-Ethenoxy-1,3-difluorobutane
CID 53654392
3-Ethenoxy-1,1,1,2,2,4,4,5,5-nonafluoropentane
CID 53668434
2-Ethenoxy-1,1,4-trifluorobutane
CID 53679384
2-Ethenoxy-1,3,3-trifluorobutane
CID 53679537
2-Ethenoxy-1,1,1,4,4-pentafluorobutane
CID 53707517
2-Ethenoxy-1,1,1,3,4,4-hexafluorobutane
CID 53710517
3-Ethenoxy-1,1,1,2,4,5,5-heptafluoropentane
CID 53751297
2-Ethenoxy-1,1,1,3,4-pentafluorobutane
CID 53765898
3-Ethenoxy-2,2,4,4-tetrafluoropentane
CID 53782337

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-1,1,4-trifluoropentane?
The IUPAC name of 3-ethenoxy-1,1,4-trifluoropentane (CID 57011993) is 3-ethenoxy-1,1,4-trifluoropentane.
What is the SMILES notation for 3-ethenoxy-1,1,4-trifluoropentane?
The canonical SMILES for 3-ethenoxy-1,1,4-trifluoropentane is C=COC(CC(F)F)C(C)F.
What is the InChIKey of 3-ethenoxy-1,1,4-trifluoropentane?
The InChIKey is KNKCMYJTZIHJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-3-11-6(5(2)8)4-7(9)10/h3,5-7H,1,4H2,2H3.
What are the key properties of 3-ethenoxy-1,1,4-trifluoropentane?
3-ethenoxy-1,1,4-trifluoropentane has a molecular weight of 168.16 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-1,1,4-trifluoropentane is sourced from PubChem (CID 57011993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).