(3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene

C16H23F — CID 145172629

IUPAC(3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene
SMILESC=C(C)/C=C(/F)C(=C)C.C=C(C)/C=C\C(=C)C
InChIInChI=1S/C8H11F.C8H12/c1-6(2)5-8(9)7(3)4;1-7(2)5-6-8(3)4/h5H,1,3H2,2,4H3;5-6H,1,3H2,2,4H3/b8-5+;6-5-
InChIKeyLBUHKSNVOSBBSB-DKSVKKINSA-N
MW234.36 g/mol
LogP5.69
Rot. Bonds4

About (3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene

(3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene (PubChem CID 145172629) has the molecular formula C16H23F and a molecular weight of 234.36 g/mol. Its IUPAC name is (3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene
PubChem CID145172629
Molecular FormulaC16H23F
Molecular Weight234.36 g/mol
Exact Mass234.18
IUPAC Name(3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene
SMILESC=C(C)/C=C(/F)C(=C)C.C=C(C)/C=C\C(=C)C
InChIInChI=1S/C8H11F.C8H12/c1-6(2)5-8(9)7(3)4;1-7(2)5-6-8(3)4/h5H,1,3H2,2,4H3;5-6H,1,3H2,2,4H3/b8-5+;6-5-
InChIKeyLBUHKSNVOSBBSB-DKSVKKINSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.36
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene with MolForge

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Related Compounds

(3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane
CID 143383113
(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-triene
CID 142210415
(1Z,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene
CID 142858277
4-fluoro-2-methylpenta-1,3-diene
CID 91548369
(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650
(3E,5E)-5-bromo-4-fluoro-2-methylhepta-1,3,5-triene
CID 88853657
(3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene
CID 166121568
(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143485598
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(3Z,7Z)-2-fluoro-4,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 145480540
(3E)-3-fluoro-2-methoxy-5-methylhexa-1,3,5-triene;propane
CID 143383116
(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene
CID 58174936

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene?
The IUPAC name of (3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene (CID 145172629) is (3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene.
What is the SMILES notation for (3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene?
The canonical SMILES for (3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene is C=C(C)/C=C(/F)C(=C)C.C=C(C)/C=C\C(=C)C.
What is the InChIKey of (3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene?
The InChIKey is LBUHKSNVOSBBSB-DKSVKKINSA-N. The full InChI is InChI=1S/C8H11F.C8H12/c1-6(2)5-8(9)7(3)4;1-7(2)5-6-8(3)4/h5H,1,3H2,2,4H3;5-6H,1,3H2,2,4H3/b8-5+;6-5-.
What are the key properties of (3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene?
(3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene has a molecular weight of 234.36 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene is sourced from PubChem (CID 145172629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).