5-chloro-3-fluoro-4,7-dimethylnona-1,3,5-triene

C11H16ClF — CID 123879126

IUPAC5-chloro-3-fluoro-4,7-dimethylnona-1,3,5-triene
SMILESC=CC(F)=C(C)C(Cl)=CC(C)CC
InChIInChI=1S/C11H16ClF/c1-5-8(3)7-10(12)9(4)11(13)6-2/h6-8H,2,5H2,1,3-4H3
InChIKeySNALDOWPOGCTGF-UHFFFAOYSA-N
MW202.70 g/mol
LogP4.58
Rot. Bonds4

About 5-chloro-3-fluoro-4,7-dimethylnona-1,3,5-triene

5-chloro-3-fluoro-4,7-dimethylnona-1,3,5-triene (PubChem CID 123879126) has the molecular formula C11H16ClF and a molecular weight of 202.70 g/mol. Its IUPAC name is 5-chloro-3-fluoro-4,7-dimethylnona-1,3,5-triene.

Molecular Properties

Compound Name5-chloro-3-fluoro-4,7-dimethylnona-1,3,5-triene
PubChem CID123879126
Molecular FormulaC11H16ClF
Molecular Weight202.70 g/mol
Exact Mass202.09
IUPAC Name5-chloro-3-fluoro-4,7-dimethylnona-1,3,5-triene
SMILESC=CC(F)=C(C)C(Cl)=CC(C)CC
InChIInChI=1S/C11H16ClF/c1-5-8(3)7-10(12)9(4)11(13)6-2/h6-8H,2,5H2,1,3-4H3
InChIKeySNALDOWPOGCTGF-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.70
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-4,7-dimethylnona-1,3,5-triene?
The IUPAC name of 5-chloro-3-fluoro-4,7-dimethylnona-1,3,5-triene (CID 123879126) is 5-chloro-3-fluoro-4,7-dimethylnona-1,3,5-triene.
What is the SMILES notation for 5-chloro-3-fluoro-4,7-dimethylnona-1,3,5-triene?
The canonical SMILES for 5-chloro-3-fluoro-4,7-dimethylnona-1,3,5-triene is C=CC(F)=C(C)C(Cl)=CC(C)CC.
What is the InChIKey of 5-chloro-3-fluoro-4,7-dimethylnona-1,3,5-triene?
The InChIKey is SNALDOWPOGCTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF/c1-5-8(3)7-10(12)9(4)11(13)6-2/h6-8H,2,5H2,1,3-4H3.
What are the key properties of 5-chloro-3-fluoro-4,7-dimethylnona-1,3,5-triene?
5-chloro-3-fluoro-4,7-dimethylnona-1,3,5-triene has a molecular weight of 202.70 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-4,7-dimethylnona-1,3,5-triene is sourced from PubChem (CID 123879126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).