ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene

C11H19F — CID 144635902

IUPACethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene
SMILESC/C=C/C(C)=C\C=C(/C)F.CC
InChIInChI=1S/C9H13F.C2H6/c1-4-5-8(2)6-7-9(3)10;1-2/h4-7H,1-3H3;1-2H3/b5-4+,8-6-,9-7+;
InChIKeyXHZJHMWJSMNBBQ-DLNANRRGSA-N
MW170.27 g/mol
LogP4.41
Rot. Bonds2

About ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene

ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene (PubChem CID 144635902) has the molecular formula C11H19F and a molecular weight of 170.27 g/mol. Its IUPAC name is ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene.

Molecular Properties

Compound Nameethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene
PubChem CID144635902
Molecular FormulaC11H19F
Molecular Weight170.27 g/mol
Exact Mass170.15
IUPAC Nameethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene
SMILESC/C=C/C(C)=C\C=C(/C)F.CC
InChIInChI=1S/C9H13F.C2H6/c1-4-5-8(2)6-7-9(3)10;1-2/h4-7H,1-3H3;1-2H3/b5-4+,8-6-,9-7+;
InChIKeyXHZJHMWJSMNBBQ-DLNANRRGSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.27
LogP ≤ 54.41
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

(4E,6Z)-2,5-dimethylocta-2,4,6-triene
CID 124560377
(3E,5Z,7Z)-6-methylnona-1,3,5,7-tetraen-3-amine
CID 143332399
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine
CID 88966128
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
(3Z,5Z,7E)-6-methylnona-1,3,5,7-tetraene
CID 144512529
ethane;(3E,5E,7E,9Z)-8-hydroxy-5-methylundeca-3,5,7,9-tetraen-2-one
CID 142226796
(2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine
CID 145060065
ethane;methoxyethane;(3Z,5Z)-4-methylhepta-1,3,5-triene
CID 142066617
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
(2E,4Z,6Z)-2,6-difluoroocta-2,4,6-triene
CID 143576318
(4Z,6E)-3,5-dimethylocta-2,4,6-triene
CID 144536479

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene?
The IUPAC name of ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene (CID 144635902) is ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene.
What is the SMILES notation for ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene?
The canonical SMILES for ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene is C/C=C/C(C)=C\C=C(/C)F.CC.
What is the InChIKey of ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene?
The InChIKey is XHZJHMWJSMNBBQ-DLNANRRGSA-N. The full InChI is InChI=1S/C9H13F.C2H6/c1-4-5-8(2)6-7-9(3)10;1-2/h4-7H,1-3H3;1-2H3/b5-4+,8-6-,9-7+;.
What are the key properties of ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene?
ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene has a molecular weight of 170.27 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene is sourced from PubChem (CID 144635902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).