3-(2,2,2-trifluoroethoxy)pent-2-ene

C7H11F3O — CID 91508980

IUPAC3-(2,2,2-trifluoroethoxy)pent-2-ene
SMILESCC=C(CC)OCC(F)(F)F
InChIInChI=1S/C7H11F3O/c1-3-6(4-2)11-5-7(8,9)10/h3H,4-5H2,1-2H3
InChIKeyJIVNKOVMCYAZBH-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.88
Rot. Bonds3

About 3-(2,2,2-trifluoroethoxy)pent-2-ene

3-(2,2,2-trifluoroethoxy)pent-2-ene (PubChem CID 91508980) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)pent-2-ene.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)pent-2-ene
PubChem CID91508980
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name3-(2,2,2-trifluoroethoxy)pent-2-ene
SMILESCC=C(CC)OCC(F)(F)F
InChIInChI=1S/C7H11F3O/c1-3-6(4-2)11-5-7(8,9)10/h3H,4-5H2,1-2H3
InChIKeyJIVNKOVMCYAZBH-UHFFFAOYSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)pent-2-ene?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)pent-2-ene (CID 91508980) is 3-(2,2,2-trifluoroethoxy)pent-2-ene.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)pent-2-ene?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)pent-2-ene is CC=C(CC)OCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)pent-2-ene?
The InChIKey is JIVNKOVMCYAZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-3-6(4-2)11-5-7(8,9)10/h3H,4-5H2,1-2H3.
What are the key properties of 3-(2,2,2-trifluoroethoxy)pent-2-ene?
3-(2,2,2-trifluoroethoxy)pent-2-ene has a molecular weight of 168.16 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)pent-2-ene is sourced from PubChem (CID 91508980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).