(E)-5-fluoro-2,6-dimethylundec-4-ene

C13H25F — CID 58304612

IUPAC(E)-5-fluoro-2,6-dimethylundec-4-ene
SMILESCCCCCC(C)/C(F)=C\CC(C)C
InChIInChI=1S/C13H25F/c1-5-6-7-8-12(4)13(14)10-9-11(2)3/h10-12H,5-9H2,1-4H3/b13-10+
InChIKeyRODCPUHOEXMZKY-JLHYYAGUSA-N
MW200.34 g/mol
LogP5.10
Rot. Bonds7

About (E)-5-fluoro-2,6-dimethylundec-4-ene

(E)-5-fluoro-2,6-dimethylundec-4-ene (PubChem CID 58304612) has the molecular formula C13H25F and a molecular weight of 200.34 g/mol. Its IUPAC name is (E)-5-fluoro-2,6-dimethylundec-4-ene.

Molecular Properties

Compound Name(E)-5-fluoro-2,6-dimethylundec-4-ene
PubChem CID58304612
Molecular FormulaC13H25F
Molecular Weight200.34 g/mol
Exact Mass200.19
IUPAC Name(E)-5-fluoro-2,6-dimethylundec-4-ene
SMILESCCCCCC(C)/C(F)=C\CC(C)C
InChIInChI=1S/C13H25F/c1-5-6-7-8-12(4)13(14)10-9-11(2)3/h10-12H,5-9H2,1-4H3/b13-10+
InChIKeyRODCPUHOEXMZKY-JLHYYAGUSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.34
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-fluoro-2,6-dimethylundec-4-ene?
The IUPAC name of (E)-5-fluoro-2,6-dimethylundec-4-ene (CID 58304612) is (E)-5-fluoro-2,6-dimethylundec-4-ene.
What is the SMILES notation for (E)-5-fluoro-2,6-dimethylundec-4-ene?
The canonical SMILES for (E)-5-fluoro-2,6-dimethylundec-4-ene is CCCCCC(C)/C(F)=C\CC(C)C.
What is the InChIKey of (E)-5-fluoro-2,6-dimethylundec-4-ene?
The InChIKey is RODCPUHOEXMZKY-JLHYYAGUSA-N. The full InChI is InChI=1S/C13H25F/c1-5-6-7-8-12(4)13(14)10-9-11(2)3/h10-12H,5-9H2,1-4H3/b13-10+.
What are the key properties of (E)-5-fluoro-2,6-dimethylundec-4-ene?
(E)-5-fluoro-2,6-dimethylundec-4-ene has a molecular weight of 200.34 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-2,6-dimethylundec-4-ene is sourced from PubChem (CID 58304612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).