ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene

C11H17F3 — CID 142112959

IUPACethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene
SMILESC/C=C(\C=C/CC(F)(F)F)CC.C=C
InChIInChI=1S/C9H13F3.C2H4/c1-3-8(4-2)6-5-7-9(10,11)12;1-2/h3,5-6H,4,7H2,1-2H3;1-2H2/b6-5-,8-3-;
InChIKeyMEBSXURDJUYDOM-RFIDHEAQSA-N
MW206.25 g/mol
LogP4.65
Rot. Bonds3

About ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene

ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene (PubChem CID 142112959) has the molecular formula C11H17F3 and a molecular weight of 206.25 g/mol. Its IUPAC name is ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene.

Molecular Properties

Compound Nameethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene
PubChem CID142112959
Molecular FormulaC11H17F3
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Nameethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene
SMILESC/C=C(\C=C/CC(F)(F)F)CC.C=C
InChIInChI=1S/C9H13F3.C2H4/c1-3-8(4-2)6-5-7-9(10,11)12;1-2/h3,5-6H,4,7H2,1-2H3;1-2H2/b6-5-,8-3-;
InChIKeyMEBSXURDJUYDOM-RFIDHEAQSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
7,7,7-trifluoro-3-methylhepta-2,4-diene
CID 123499921
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
(Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one
CID 162510008
ethyl (E)-5,5,5-trifluoropent-2-enoate
CID 15104041
(E)-5,5,5-trifluoropent-2-enoic acid
CID 55296417
3-ethyl-N,N-dimethylpenta-1,3-dien-1-amine
CID 123262723
(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol
CID 88563032
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457
5,5,5-trifluoropent-2-enamide
CID 154272221
(1Z,3Z,5Z)-5-ethyl-2-fluorohepta-1,3,5-trien-1-ol
CID 143502323

Frequently Asked Questions

What is the IUPAC name of ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene?
The IUPAC name of ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene (CID 142112959) is ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene.
What is the SMILES notation for ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene?
The canonical SMILES for ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene is C/C=C(\C=C/CC(F)(F)F)CC.C=C.
What is the InChIKey of ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene?
The InChIKey is MEBSXURDJUYDOM-RFIDHEAQSA-N. The full InChI is InChI=1S/C9H13F3.C2H4/c1-3-8(4-2)6-5-7-9(10,11)12;1-2/h3,5-6H,4,7H2,1-2H3;1-2H2/b6-5-,8-3-;.
What are the key properties of ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene?
ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene 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 ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene is sourced from PubChem (CID 142112959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).