(3Z)-2-(2-fluoroethoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene

C14H23FO2 — CID 144978900

IUPAC(3Z)-2-(2-fluoroethoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene
SMILESC=C(/C=C\C(=C)C(C)OCC(C)C)OCCF
InChIInChI=1S/C14H23FO2/c1-11(2)10-17-14(5)12(3)6-7-13(4)16-9-8-15/h6-7,11,14H,3-4,8-10H2,1-2,5H3/b7-6-
InChIKeyYILBAJUGXGCJTC-SREVYHEPSA-N
MW242.33 g/mol
LogP3.66
Rot. Bonds9

About (3Z)-2-(2-fluoroethoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene

(3Z)-2-(2-fluoroethoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene (PubChem CID 144978900) has the molecular formula C14H23FO2 and a molecular weight of 242.33 g/mol. Its IUPAC name is (3Z)-2-(2-fluoroethoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-(2-fluoroethoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene
PubChem CID144978900
Molecular FormulaC14H23FO2
Molecular Weight242.33 g/mol
Exact Mass242.17
IUPAC Name(3Z)-2-(2-fluoroethoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene
SMILESC=C(/C=C\C(=C)C(C)OCC(C)C)OCCF
InChIInChI=1S/C14H23FO2/c1-11(2)10-17-14(5)12(3)6-7-13(4)16-9-8-15/h6-7,11,14H,3-4,8-10H2,1-2,5H3/b7-6-
InChIKeyYILBAJUGXGCJTC-SREVYHEPSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.66
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-(2-fluoroethoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene?
The IUPAC name of (3Z)-2-(2-fluoroethoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene (CID 144978900) is (3Z)-2-(2-fluoroethoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene.
What is the SMILES notation for (3Z)-2-(2-fluoroethoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene?
The canonical SMILES for (3Z)-2-(2-fluoroethoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene is C=C(/C=C\C(=C)C(C)OCC(C)C)OCCF.
What is the InChIKey of (3Z)-2-(2-fluoroethoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene?
The InChIKey is YILBAJUGXGCJTC-SREVYHEPSA-N. The full InChI is InChI=1S/C14H23FO2/c1-11(2)10-17-14(5)12(3)6-7-13(4)16-9-8-15/h6-7,11,14H,3-4,8-10H2,1-2,5H3/b7-6-.
What are the key properties of (3Z)-2-(2-fluoroethoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene?
(3Z)-2-(2-fluoroethoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene has a molecular weight of 242.33 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-(2-fluoroethoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene is sourced from PubChem (CID 144978900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).