(1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene

C13H19FO — CID 163241909

IUPAC(1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene
SMILESCC(F)OC1=C/C(C(C)C)=C\CC/C=C\1
InChIInChI=1S/C13H19FO/c1-10(2)12-7-5-4-6-8-13(9-12)15-11(3)14/h6-11H,4-5H2,1-3H3/b8-6-,12-7+,13-9+
InChIKeyMXQOULYPQVTITB-BUIWXONQSA-N
MW210.29 g/mol
LogP4.13
Rot. Bonds3

About (1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene

(1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene (PubChem CID 163241909) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is (1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene
PubChem CID163241909
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name(1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene
SMILESCC(F)OC1=C/C(C(C)C)=C\CC/C=C\1
InChIInChI=1S/C13H19FO/c1-10(2)12-7-5-4-6-8-13(9-12)15-11(3)14/h6-11H,4-5H2,1-3H3/b8-6-,12-7+,13-9+
InChIKeyMXQOULYPQVTITB-BUIWXONQSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene?
The IUPAC name of (1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene (CID 163241909) is (1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene.
What is the SMILES notation for (1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene?
The canonical SMILES for (1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene is CC(F)OC1=C/C(C(C)C)=C\CC/C=C\1.
What is the InChIKey of (1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene?
The InChIKey is MXQOULYPQVTITB-BUIWXONQSA-N. The full InChI is InChI=1S/C13H19FO/c1-10(2)12-7-5-4-6-8-13(9-12)15-11(3)14/h6-11H,4-5H2,1-3H3/b8-6-,12-7+,13-9+.
What are the key properties of (1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene?
(1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene has a molecular weight of 210.29 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z)-4-(1-fluoroethoxy)-2-propan-2-ylcycloocta-1,3,5-triene is sourced from PubChem (CID 163241909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).