4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene

C12H17FO — CID 123931875

IUPAC4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene
SMILESC=CC(=CC)C(=CC)C(=C)OC(C)F
InChIInChI=1S/C12H17FO/c1-6-11(7-2)12(8-3)9(4)14-10(5)13/h6-8,10H,1,4H2,2-3,5H3
InChIKeyTUBYLTMICGIZEL-UHFFFAOYSA-N
MW196.26 g/mol
LogP3.91
Rot. Bonds5

About 4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene

4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene (PubChem CID 123931875) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene.

Molecular Properties

Compound Name4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene
PubChem CID123931875
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene
SMILESC=CC(=CC)C(=CC)C(=C)OC(C)F
InChIInChI=1S/C12H17FO/c1-6-11(7-2)12(8-3)9(4)14-10(5)13/h6-8,10H,1,4H2,2-3,5H3
InChIKeyTUBYLTMICGIZEL-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
(3E)-3-(difluoromethoxy)penta-1,3-diene
CID 143010384
ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane
CID 178046177
ethenyl 1-fluoroethyl carbonate
CID 90239988
N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine
CID 130351407
but-3-en-2-yl 2-acetylbut-2-enoate
CID 71427747
3-propan-2-yloxypenta-1,3-diene
CID 123296318
(3E,4E)-3-ethylidene-4-methylhexa-1,4-diene;N-ethylmethanimine
CID 170733911
ethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium
CID 155706575
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
(3E,9Z)-11-(difluoromethoxy)-10-methyl-5,8-dimethylidenedodeca-1,3,9,11-tetraen-6-yn-3-ol
CID 145479643

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene?
The IUPAC name of 4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene (CID 123931875) is 4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene.
What is the SMILES notation for 4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene?
The canonical SMILES for 4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene is C=CC(=CC)C(=CC)C(=C)OC(C)F.
What is the InChIKey of 4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene?
The InChIKey is TUBYLTMICGIZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-6-11(7-2)12(8-3)9(4)14-10(5)13/h6-8,10H,1,4H2,2-3,5H3.
What are the key properties of 4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene?
4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene has a molecular weight of 196.26 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene is sourced from PubChem (CID 123931875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).