(2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene

C9H12F2 — CID 88928216

IUPAC(2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene
SMILESC/C=C/C(F)=C(C)\C=C(/C)F
InChIInChI=1S/C9H12F2/c1-4-5-9(11)7(2)6-8(3)10/h4-6H,1-3H3/b5-4+,8-6+,9-7+
InChIKeyQUBKVKLVTDQJGA-WUJFNTSISA-N
MW158.19 g/mol
LogP3.68
Rot. Bonds2

About (2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene

(2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene (PubChem CID 88928216) has the molecular formula C9H12F2 and a molecular weight of 158.19 g/mol. Its IUPAC name is (2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene.

Molecular Properties

Compound Name(2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene
PubChem CID88928216
Molecular FormulaC9H12F2
Molecular Weight158.19 g/mol
Exact Mass158.09
IUPAC Name(2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene
SMILESC/C=C/C(F)=C(C)\C=C(/C)F
InChIInChI=1S/C9H12F2/c1-4-5-9(11)7(2)6-8(3)10/h4-6H,1-3H3/b5-4+,8-6+,9-7+
InChIKeyQUBKVKLVTDQJGA-WUJFNTSISA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E)-2,3-difluorohexa-2,4-diene
CID 142531595
(2Z,4Z)-3-fluorohexa-2,4-diene-2-thiol
CID 167239113
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
(2E,4E,6E)-3,5-difluoro-4-methylocta-2,4,6-triene
CID 88889266
4-fluoro-5-methylhepta-2,4-diene
CID 123466906
(2E,4E)-2-fluoro-4-methylhexa-2,4-diene
CID 143698072
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
ethyl(3-fluorohexa-2,4-dien-2-yl)borinic acid
CID 123589973
ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene
CID 144635902
(2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene
CID 89381383
(2Z,4Z,6Z)-3-fluoro-2,5-dimethylocta-2,4,6-trienenitrile
CID 146499155
4-fluoro-2-methylpenta-1,3-diene
CID 91548369

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene?
The IUPAC name of (2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene (CID 88928216) is (2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene.
What is the SMILES notation for (2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene?
The canonical SMILES for (2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene is C/C=C/C(F)=C(C)\C=C(/C)F.
What is the InChIKey of (2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene?
The InChIKey is QUBKVKLVTDQJGA-WUJFNTSISA-N. The full InChI is InChI=1S/C9H12F2/c1-4-5-9(11)7(2)6-8(3)10/h4-6H,1-3H3/b5-4+,8-6+,9-7+.
What are the key properties of (2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene?
(2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene has a molecular weight of 158.19 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene is sourced from PubChem (CID 88928216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).