(3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene

C12H17F — CID 137451315

IUPAC(3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene
SMILESC=C(C)/C=C/C(/C=C\CC)=C/CF
InChIInChI=1S/C12H17F/c1-4-5-6-12(9-10-13)8-7-11(2)3/h5-9H,2,4,10H2,1,3H3/b6-5-,8-7+,12-9+
InChIKeyCCJRAIMQNPCTJP-PDLINSQHSA-N
MW180.27 g/mol
LogP3.98
Rot. Bonds5

About (3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene

(3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene (PubChem CID 137451315) has the molecular formula C12H17F and a molecular weight of 180.27 g/mol. Its IUPAC name is (3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene.

Molecular Properties

Compound Name(3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene
PubChem CID137451315
Molecular FormulaC12H17F
Molecular Weight180.27 g/mol
Exact Mass180.13
IUPAC Name(3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene
SMILESC=C(C)/C=C/C(/C=C\CC)=C/CF
InChIInChI=1S/C12H17F/c1-4-5-6-12(9-10-13)8-7-11(2)3/h5-9H,2,4,10H2,1,3H3/b6-5-,8-7+,12-9+
InChIKeyCCJRAIMQNPCTJP-PDLINSQHSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 53.98
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 (3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene?
The IUPAC name of (3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene (CID 137451315) is (3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene.
What is the SMILES notation for (3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene?
The canonical SMILES for (3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene is C=C(C)/C=C/C(/C=C\CC)=C/CF.
What is the InChIKey of (3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene?
The InChIKey is CCJRAIMQNPCTJP-PDLINSQHSA-N. The full InChI is InChI=1S/C12H17F/c1-4-5-6-12(9-10-13)8-7-11(2)3/h5-9H,2,4,10H2,1,3H3/b6-5-,8-7+,12-9+.
What are the key properties of (3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene?
(3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene has a molecular weight of 180.27 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene is sourced from PubChem (CID 137451315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).