(E)-1,1,1-trifluorooct-3-ene

C8H13F3 — CID 15416704

IUPAC(E)-1,1,1-trifluorooct-3-ene
SMILESCCCC/C=C/CC(F)(F)F
InChIInChI=1S/C8H13F3/c1-2-3-4-5-6-7-8(9,10)11/h5-6H,2-4,7H2,1H3/b6-5+
InChIKeyMENFQHLOYXZCGV-AATRIKPKSA-N
MW166.19 g/mol
LogP3.69
Rot. Bonds4

About (E)-1,1,1-trifluorooct-3-ene

(E)-1,1,1-trifluorooct-3-ene (PubChem CID 15416704) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is (E)-1,1,1-trifluorooct-3-ene.

Molecular Properties

Compound Name(E)-1,1,1-trifluorooct-3-ene
PubChem CID15416704
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name(E)-1,1,1-trifluorooct-3-ene
SMILESCCCC/C=C/CC(F)(F)F
InChIInChI=1S/C8H13F3/c1-2-3-4-5-6-7-8(9,10)11/h5-6H,2-4,7H2,1H3/b6-5+
InChIKeyMENFQHLOYXZCGV-AATRIKPKSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-1,1,1-trifluorooct-3-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 (E)-1,1,1-trifluorooct-3-ene?
The IUPAC name of (E)-1,1,1-trifluorooct-3-ene (CID 15416704) is (E)-1,1,1-trifluorooct-3-ene.
What is the SMILES notation for (E)-1,1,1-trifluorooct-3-ene?
The canonical SMILES for (E)-1,1,1-trifluorooct-3-ene is CCCC/C=C/CC(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluorooct-3-ene?
The InChIKey is MENFQHLOYXZCGV-AATRIKPKSA-N. The full InChI is InChI=1S/C8H13F3/c1-2-3-4-5-6-7-8(9,10)11/h5-6H,2-4,7H2,1H3/b6-5+.
What are the key properties of (E)-1,1,1-trifluorooct-3-ene?
(E)-1,1,1-trifluorooct-3-ene has a molecular weight of 166.19 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluorooct-3-ene is sourced from PubChem (CID 15416704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).