5-(chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene

C14H22ClF — CID 54334840

IUPAC5-(chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene
SMILESCC=CCC(=CCl)C(C)(C)C(F)=CC(C)C
InChIInChI=1S/C14H22ClF/c1-6-7-8-12(10-15)14(4,5)13(16)9-11(2)3/h6-7,9-11H,8H2,1-5H3
InChIKeyFTMYKJPQSLXBKG-UHFFFAOYSA-N
MW244.78 g/mol
LogP5.61
Rot. Bonds5

About 5-(chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene

5-(chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene (PubChem CID 54334840) has the molecular formula C14H22ClF and a molecular weight of 244.78 g/mol. Its IUPAC name is 5-(chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene.

Molecular Properties

Compound Name5-(chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene
PubChem CID54334840
Molecular FormulaC14H22ClF
Molecular Weight244.78 g/mol
Exact Mass244.14
IUPAC Name5-(chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene
SMILESCC=CCC(=CCl)C(C)(C)C(F)=CC(C)C
InChIInChI=1S/C14H22ClF/c1-6-7-8-12(10-15)14(4,5)13(16)9-11(2)3/h6-7,9-11H,8H2,1-5H3
InChIKeyFTMYKJPQSLXBKG-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.78
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene?
The IUPAC name of 5-(chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene (CID 54334840) is 5-(chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene.
What is the SMILES notation for 5-(chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene?
The canonical SMILES for 5-(chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene is CC=CCC(=CCl)C(C)(C)C(F)=CC(C)C.
What is the InChIKey of 5-(chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene?
The InChIKey is FTMYKJPQSLXBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClF/c1-6-7-8-12(10-15)14(4,5)13(16)9-11(2)3/h6-7,9-11H,8H2,1-5H3.
What are the key properties of 5-(chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene?
5-(chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene has a molecular weight of 244.78 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethylidene)-7-fluoro-6,6,9-trimethyldeca-2,7-diene is sourced from PubChem (CID 54334840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).