6,6,6-trifluoro-3-propoxyhex-2-ene

C9H15F3O — CID 91556073

IUPAC6,6,6-trifluoro-3-propoxyhex-2-ene
SMILESCC=C(CCC(F)(F)F)OCCC
InChIInChI=1S/C9H15F3O/c1-3-7-13-8(4-2)5-6-9(10,11)12/h4H,3,5-7H2,1-2H3
InChIKeyJEVRRBIVLHDAEH-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.66
Rot. Bonds5

About 6,6,6-trifluoro-3-propoxyhex-2-ene

6,6,6-trifluoro-3-propoxyhex-2-ene (PubChem CID 91556073) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 6,6,6-trifluoro-3-propoxyhex-2-ene.

Molecular Properties

Compound Name6,6,6-trifluoro-3-propoxyhex-2-ene
PubChem CID91556073
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name6,6,6-trifluoro-3-propoxyhex-2-ene
SMILESCC=C(CCC(F)(F)F)OCCC
InChIInChI=1S/C9H15F3O/c1-3-7-13-8(4-2)5-6-9(10,11)12/h4H,3,5-7H2,1-2H3
InChIKeyJEVRRBIVLHDAEH-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,6,6-trifluoro-3-propoxyhex-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-3-propoxyhex-2-ene?
The IUPAC name of 6,6,6-trifluoro-3-propoxyhex-2-ene (CID 91556073) is 6,6,6-trifluoro-3-propoxyhex-2-ene.
What is the SMILES notation for 6,6,6-trifluoro-3-propoxyhex-2-ene?
The canonical SMILES for 6,6,6-trifluoro-3-propoxyhex-2-ene is CC=C(CCC(F)(F)F)OCCC.
What is the InChIKey of 6,6,6-trifluoro-3-propoxyhex-2-ene?
The InChIKey is JEVRRBIVLHDAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-3-7-13-8(4-2)5-6-9(10,11)12/h4H,3,5-7H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-3-propoxyhex-2-ene?
6,6,6-trifluoro-3-propoxyhex-2-ene has a molecular weight of 196.21 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-3-propoxyhex-2-ene is sourced from PubChem (CID 91556073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).