ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene

C11H17F3 — CID 142204097

IUPACethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene
SMILESC=C/C=C\C(C)=C/CC(F)(F)F.CC
InChIInChI=1S/C9H11F3.C2H6/c1-3-4-5-8(2)6-7-9(10,11)12;1-2/h3-6H,1,7H2,2H3;1-2H3/b5-4-,8-6-;
InChIKeyAILLWQOERZUOOZ-PRWWQMKWSA-N
MW206.25 g/mol
LogP4.65
Rot. Bonds3

About ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene

ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene (PubChem CID 142204097) has the molecular formula C11H17F3 and a molecular weight of 206.25 g/mol. Its IUPAC name is ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene
PubChem CID142204097
Molecular FormulaC11H17F3
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Nameethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene
SMILESC=C/C=C\C(C)=C/CC(F)(F)F.CC
InChIInChI=1S/C9H11F3.C2H6/c1-3-4-5-8(2)6-7-9(10,11)12;1-2/h3-6H,1,7H2,2H3;1-2H3/b5-4-,8-6-;
InChIKeyAILLWQOERZUOOZ-PRWWQMKWSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 54.65
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

(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene
CID 142987715
5-methylocta-1,3,5-triene
CID 123706098
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine
CID 166907287
(Z)-5,5,5-trifluoropent-2-en-2-amine
CID 155429423
(3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene
CID 142246512
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542
(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine
CID 126689878
(1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine
CID 126710731
7,7,7-trifluoro-3-methylhepta-2,4-diene
CID 123499921
(3Z,5Z)-2-fluoro-2,5-dimethylocta-3,5-diene
CID 138465029
ethane;(2Z)-penta-2,4-dienamide
CID 143902044

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene?
The IUPAC name of ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene (CID 142204097) is ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene.
What is the SMILES notation for ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene?
The canonical SMILES for ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene is C=C/C=C\C(C)=C/CC(F)(F)F.CC.
What is the InChIKey of ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene?
The InChIKey is AILLWQOERZUOOZ-PRWWQMKWSA-N. The full InChI is InChI=1S/C9H11F3.C2H6/c1-3-4-5-8(2)6-7-9(10,11)12;1-2/h3-6H,1,7H2,2H3;1-2H3/b5-4-,8-6-;.
What are the key properties of ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene?
ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene has a molecular weight of 206.25 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene is sourced from PubChem (CID 142204097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).