2-fluoro-5,9-dimethyldeca-2,4,8-triene

C12H19F — CID 73411750

IUPAC2-fluoro-5,9-dimethyldeca-2,4,8-triene
SMILESCC(C)=CCCC(C)=CC=C(C)F
InChIInChI=1S/C12H19F/c1-10(2)6-5-7-11(3)8-9-12(4)13/h6,8-9H,5,7H2,1-4H3
InChIKeyYCPSQSABVXFVSG-UHFFFAOYSA-N
MW182.28 g/mol
LogP4.55
Rot. Bonds4

About 2-fluoro-5,9-dimethyldeca-2,4,8-triene

2-fluoro-5,9-dimethyldeca-2,4,8-triene (PubChem CID 73411750) has the molecular formula C12H19F and a molecular weight of 182.28 g/mol. Its IUPAC name is 2-fluoro-5,9-dimethyldeca-2,4,8-triene.

Molecular Properties

Compound Name2-fluoro-5,9-dimethyldeca-2,4,8-triene
PubChem CID73411750
Molecular FormulaC12H19F
Molecular Weight182.28 g/mol
Exact Mass182.15
IUPAC Name2-fluoro-5,9-dimethyldeca-2,4,8-triene
SMILESCC(C)=CCCC(C)=CC=C(C)F
InChIInChI=1S/C12H19F/c1-10(2)6-5-7-11(3)8-9-12(4)13/h6,8-9H,5,7H2,1-4H3
InChIKeyYCPSQSABVXFVSG-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.28
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5,9-dimethyldeca-2,4,8-triene?
The IUPAC name of 2-fluoro-5,9-dimethyldeca-2,4,8-triene (CID 73411750) is 2-fluoro-5,9-dimethyldeca-2,4,8-triene.
What is the SMILES notation for 2-fluoro-5,9-dimethyldeca-2,4,8-triene?
The canonical SMILES for 2-fluoro-5,9-dimethyldeca-2,4,8-triene is CC(C)=CCCC(C)=CC=C(C)F.
What is the InChIKey of 2-fluoro-5,9-dimethyldeca-2,4,8-triene?
The InChIKey is YCPSQSABVXFVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F/c1-10(2)6-5-7-11(3)8-9-12(4)13/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 2-fluoro-5,9-dimethyldeca-2,4,8-triene?
2-fluoro-5,9-dimethyldeca-2,4,8-triene has a molecular weight of 182.28 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5,9-dimethyldeca-2,4,8-triene is sourced from PubChem (CID 73411750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).