2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene

C8H13FO2 — CID 123737328

IUPAC2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene
SMILESC=C(OCCF)C(=CC)OC
InChIInChI=1S/C8H13FO2/c1-4-8(10-3)7(2)11-6-5-9/h4H,2,5-6H2,1,3H3
InChIKeyJMBPZRLCKRSEAC-UHFFFAOYSA-N
MW160.19 g/mol
LogP2.04
Rot. Bonds5

About 2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene

2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene (PubChem CID 123737328) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene
PubChem CID123737328
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene
SMILESC=C(OCCF)C(=CC)OC
InChIInChI=1S/C8H13FO2/c1-4-8(10-3)7(2)11-6-5-9/h4H,2,5-6H2,1,3H3
InChIKeyJMBPZRLCKRSEAC-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine
CID 20649605
(3E,5Z)-7-fluoro-4-(3-methoxypropoxy)hepta-1,3,5-triene
CID 89318711
(3Z,5E)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene
CID 89318773
(2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene
CID 89318777
(3E)-2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene
CID 90061486
(3E)-2,4-bis(2,2,2-trifluoroethoxy)penta-1,3-diene
CID 117891028
(3E)-2-(2,2-difluoropropoxy)-4-(2,2,2-trifluoroethoxy)penta-1,3-diene
CID 117891040
3,4-Diethoxy-2-fluorohexa-2,4-diene
CID 123318263
(2E,4E)-4-(2,2,2-trifluoroethoxy)hexa-2,4-dien-3-ol
CID 129154754
(3Z)-3-ethoxy-4-fluorohexa-1,3,5-triene
CID 142254515
(3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene
CID 143108215
(3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene
CID 143331079

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene?
The IUPAC name of 2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene (CID 123737328) is 2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene.
What is the SMILES notation for 2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene?
The canonical SMILES for 2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene is C=C(OCCF)C(=CC)OC.
What is the InChIKey of 2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene?
The InChIKey is JMBPZRLCKRSEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-4-8(10-3)7(2)11-6-5-9/h4H,2,5-6H2,1,3H3.
What are the key properties of 2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene?
2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene has a molecular weight of 160.19 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene is sourced from PubChem (CID 123737328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).