ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene

C11H19F3 — CID 142269776

IUPACethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene
SMILESC=C/C=C(\CC)C(C)C(F)(F)F.CC
InChIInChI=1S/C9H13F3.C2H6/c1-4-6-8(5-2)7(3)9(10,11)12;1-2/h4,6-7H,1,5H2,2-3H3;1-2H3/b8-6+;
InChIKeyVZOLYHBPUDJHNL-WVLIHFOGSA-N
MW208.27 g/mol
LogP4.73
Rot. Bonds3

About ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene

ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene (PubChem CID 142269776) has the molecular formula C11H19F3 and a molecular weight of 208.27 g/mol. Its IUPAC name is ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene.

Molecular Properties

Compound Nameethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene
PubChem CID142269776
Molecular FormulaC11H19F3
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Nameethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene
SMILESC=C/C=C(\CC)C(C)C(F)(F)F.CC
InChIInChI=1S/C9H13F3.C2H6/c1-4-6-8(5-2)7(3)9(10,11)12;1-2/h4,6-7H,1,5H2,2-3H3;1-2H3/b8-6+;
InChIKeyVZOLYHBPUDJHNL-WVLIHFOGSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 54.73
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

ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
(3E)-5-methyl-4-(trifluoromethyl)hepta-1,3-diene
CID 138486545
N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine
CID 130323388
3-ethyl-4-methyl-3-propan-2-ylpent-1-ene
CID 141443775
(3E)-4-fluorohexa-1,3-diene
CID 88586520
(3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene
CID 142213266
N-hexa-3,5-dien-3-ylmethanimine
CID 123675398
2-prop-2-enylidenebutane-1,3-diol
CID 175263998
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene?
The IUPAC name of ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene (CID 142269776) is ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene.
What is the SMILES notation for ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene?
The canonical SMILES for ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene is C=C/C=C(\CC)C(C)C(F)(F)F.CC.
What is the InChIKey of ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene?
The InChIKey is VZOLYHBPUDJHNL-WVLIHFOGSA-N. The full InChI is InChI=1S/C9H13F3.C2H6/c1-4-6-8(5-2)7(3)9(10,11)12;1-2/h4,6-7H,1,5H2,2-3H3;1-2H3/b8-6+;.
What are the key properties of ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene?
ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene has a molecular weight of 208.27 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene is sourced from PubChem (CID 142269776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).