3,4-diethyl-5,5,6-trifluorotetradec-3-ene

C18H33F3 — CID 150247345

IUPAC3,4-diethyl-5,5,6-trifluorotetradec-3-ene
SMILESCCCCCCCCC(F)C(F)(F)C(CC)=C(CC)CC
InChIInChI=1S/C18H33F3/c1-5-9-10-11-12-13-14-17(19)18(20,21)16(8-4)15(6-2)7-3/h17H,5-14H2,1-4H3
InChIKeyFYUKNTQTYMNHGH-UHFFFAOYSA-N
MW306.46 g/mol
LogP7.24
Rot. Bonds12

About 3,4-diethyl-5,5,6-trifluorotetradec-3-ene

3,4-diethyl-5,5,6-trifluorotetradec-3-ene (PubChem CID 150247345) has the molecular formula C18H33F3 and a molecular weight of 306.46 g/mol. Its IUPAC name is 3,4-diethyl-5,5,6-trifluorotetradec-3-ene.

Molecular Properties

Compound Name3,4-diethyl-5,5,6-trifluorotetradec-3-ene
PubChem CID150247345
Molecular FormulaC18H33F3
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC Name3,4-diethyl-5,5,6-trifluorotetradec-3-ene
SMILESCCCCCCCCC(F)C(F)(F)C(CC)=C(CC)CC
InChIInChI=1S/C18H33F3/c1-5-9-10-11-12-13-14-17(19)18(20,21)16(8-4)15(6-2)7-3/h17H,5-14H2,1-4H3
InChIKeyFYUKNTQTYMNHGH-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.46
LogP ≤ 57.24
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 3,4-diethyl-5,5,6-trifluorotetradec-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 3,4-diethyl-5,5,6-trifluorotetradec-3-ene?
The IUPAC name of 3,4-diethyl-5,5,6-trifluorotetradec-3-ene (CID 150247345) is 3,4-diethyl-5,5,6-trifluorotetradec-3-ene.
What is the SMILES notation for 3,4-diethyl-5,5,6-trifluorotetradec-3-ene?
The canonical SMILES for 3,4-diethyl-5,5,6-trifluorotetradec-3-ene is CCCCCCCCC(F)C(F)(F)C(CC)=C(CC)CC.
What is the InChIKey of 3,4-diethyl-5,5,6-trifluorotetradec-3-ene?
The InChIKey is FYUKNTQTYMNHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F3/c1-5-9-10-11-12-13-14-17(19)18(20,21)16(8-4)15(6-2)7-3/h17H,5-14H2,1-4H3.
What are the key properties of 3,4-diethyl-5,5,6-trifluorotetradec-3-ene?
3,4-diethyl-5,5,6-trifluorotetradec-3-ene has a molecular weight of 306.46 g/mol, XLogP of 7.24, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-5,5,6-trifluorotetradec-3-ene is sourced from PubChem (CID 150247345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).