4-ethyl-1,1,1-trifluorohex-3-ene

C8H13F3 — CID 14400284

IUPAC4-ethyl-1,1,1-trifluorohex-3-ene
SMILESCCC(=CCC(F)(F)F)CC
InChIInChI=1S/C8H13F3/c1-3-7(4-2)5-6-8(9,10)11/h5H,3-4,6H2,1-2H3
InChIKeyRRIGVUIVAVTIAW-UHFFFAOYSA-N
MW166.19 g/mol
LogP3.69
Rot. Bonds3

About 4-ethyl-1,1,1-trifluorohex-3-ene

4-ethyl-1,1,1-trifluorohex-3-ene (PubChem CID 14400284) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is 4-ethyl-1,1,1-trifluorohex-3-ene.

Molecular Properties

Compound Name4-ethyl-1,1,1-trifluorohex-3-ene
PubChem CID14400284
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name4-ethyl-1,1,1-trifluorohex-3-ene
SMILESCCC(=CCC(F)(F)F)CC
InChIInChI=1S/C8H13F3/c1-3-7(4-2)5-6-8(9,10)11/h5H,3-4,6H2,1-2H3
InChIKeyRRIGVUIVAVTIAW-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-ethyl-1,1,1-trifluorohex-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

Related Compounds

Trisnorsqualene difluoromethylidene
CID 15119643
5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-2-ene
CID 71331659
1,1,1,2,2,3,3,4,4-Nonafluoro-5-methylundec-5-ene
CID 85549144
Neryl fluoride
CID 129824195
(6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene
CID 12519453
5,5-Difluoro-2-methylpent-2-ene
CID 14092768
Trifluoromethylcyclobutene
CID 18520913
5,5,5-Trifluoro-2-methylpent-2-ene
CID 53930878
4-Methyl-2-trifluoromethylpentadiene
CID 90166011
4-Fluoro-3-methylpent-2-ene
CID 123511146
1,1,1-Trifluoro-2-(trifluoromethyl)hept-2-ene
CID 13027673
(E)-1,1,1-trifluorooct-3-ene
CID 15416704

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1,1-trifluorohex-3-ene?
The IUPAC name of 4-ethyl-1,1,1-trifluorohex-3-ene (CID 14400284) is 4-ethyl-1,1,1-trifluorohex-3-ene.
What is the SMILES notation for 4-ethyl-1,1,1-trifluorohex-3-ene?
The canonical SMILES for 4-ethyl-1,1,1-trifluorohex-3-ene is CCC(=CCC(F)(F)F)CC.
What is the InChIKey of 4-ethyl-1,1,1-trifluorohex-3-ene?
The InChIKey is RRIGVUIVAVTIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c1-3-7(4-2)5-6-8(9,10)11/h5H,3-4,6H2,1-2H3.
What are the key properties of 4-ethyl-1,1,1-trifluorohex-3-ene?
4-ethyl-1,1,1-trifluorohex-3-ene has a molecular weight of 166.19 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1,1-trifluorohex-3-ene is sourced from PubChem (CID 14400284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).