(3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene

C9H12F2 — CID 143057094

IUPAC(3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene
SMILESC=C(F)/C(C)=C(/F)C/C=C\C
InChIInChI=1S/C9H12F2/c1-4-5-6-9(11)7(2)8(3)10/h4-5H,3,6H2,1-2H3/b5-4-,9-7+
InChIKeyQDLDETHALQXKKC-XEQCUQEESA-N
MW158.19 g/mol
LogP3.68
Rot. Bonds3

About (3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene

(3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene (PubChem CID 143057094) has the molecular formula C9H12F2 and a molecular weight of 158.19 g/mol. Its IUPAC name is (3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene.

Molecular Properties

Compound Name(3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene
PubChem CID143057094
Molecular FormulaC9H12F2
Molecular Weight158.19 g/mol
Exact Mass158.09
IUPAC Name(3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene
SMILESC=C(F)/C(C)=C(/F)C/C=C\C
InChIInChI=1S/C9H12F2/c1-4-5-6-9(11)7(2)8(3)10/h4-5H,3,6H2,1-2H3/b5-4-,9-7+
InChIKeyQDLDETHALQXKKC-XEQCUQEESA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-methylhexa-1,4-diene
CID 5367524
(E)-2-methylidenehex-4-en-1-ol
CID 15564150
(6E)-6-fluoro-2-methylocta-1,3,6-triene
CID 143501588
3-methylhepta-2,5-dien-1-ol
CID 167443292
ethane;(5E)-2-methylhepta-1,5-diene
CID 143084582
(E)-hex-4-en-2-imine
CID 15835471
4-[(E)-but-2-enyl]sulfanyl-2-methylbut-1-ene
CID 131239621
5-methylnona-1,4,7-triene
CID 59970949
4,5,6,7-tetramethylundeca-2,4,6,9-tetraene
CID 123835298
(5Z)-2-fluorohepta-1,5-dien-3-amine
CID 89153786
azane;(Z)-but-2-ene;ethane;(4E)-2-methylhexa-1,4-diene;propane;prop-1-yne
CID 143376681
(7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine
CID 143316591

Frequently Asked Questions

What is the IUPAC name of (3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene?
The IUPAC name of (3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene (CID 143057094) is (3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene.
What is the SMILES notation for (3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene?
The canonical SMILES for (3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene is C=C(F)/C(C)=C(/F)C/C=C\C.
What is the InChIKey of (3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene?
The InChIKey is QDLDETHALQXKKC-XEQCUQEESA-N. The full InChI is InChI=1S/C9H12F2/c1-4-5-6-9(11)7(2)8(3)10/h4-5H,3,6H2,1-2H3/b5-4-,9-7+.
What are the key properties of (3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene?
(3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene has a molecular weight of 158.19 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-2,4-difluoro-3-methylocta-1,3,6-triene is sourced from PubChem (CID 143057094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).