ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene

C18H29F — CID 144678741

IUPACethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene
SMILESC=C(C)/C=C\C(=C)F.CC.CC.Cc1ccccc1
InChIInChI=1S/C7H9F.C7H8.2C2H6/c1-6(2)4-5-7(3)8;1-7-5-3-2-4-6-7;2*1-2/h4-5H,1,3H2,2H3;2-6H,1H3;2*1-2H3/b5-4-;;;
InChIKeyYFJQVNTZVFQHEG-OAWHIZORSA-N
MW264.43 g/mol
LogP6.65
Rot. Bonds2

About ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene

ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene (PubChem CID 144678741) has the molecular formula C18H29F and a molecular weight of 264.43 g/mol. Its IUPAC name is ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene.

Molecular Properties

Compound Nameethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene
PubChem CID144678741
Molecular FormulaC18H29F
Molecular Weight264.43 g/mol
Exact Mass264.23
IUPAC Nameethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene
SMILESC=C(C)/C=C\C(=C)F.CC.CC.Cc1ccccc1
InChIInChI=1S/C7H9F.C7H8.2C2H6/c1-6(2)4-5-7(3)8;1-7-5-3-2-4-6-7;2*1-2/h4-5H,1,3H2,2H3;2-6H,1H3;2*1-2H3/b5-4-;;;
InChIKeyYFJQVNTZVFQHEG-OAWHIZORSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.43
LogP ≤ 56.65
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 ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene?
The IUPAC name of ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene (CID 144678741) is ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene.
What is the SMILES notation for ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene?
The canonical SMILES for ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene is C=C(C)/C=C\C(=C)F.CC.CC.Cc1ccccc1.
What is the InChIKey of ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene?
The InChIKey is YFJQVNTZVFQHEG-OAWHIZORSA-N. The full InChI is InChI=1S/C7H9F.C7H8.2C2H6/c1-6(2)4-5-7(3)8;1-7-5-3-2-4-6-7;2*1-2/h4-5H,1,3H2,2H3;2-6H,1H3;2*1-2H3/b5-4-;;;.
What are the key properties of ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene?
ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene has a molecular weight of 264.43 g/mol, XLogP of 6.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene is sourced from PubChem (CID 144678741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).