(Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene

C11H21FO — CID 167082359

IUPAC(Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene
SMILESC/C=C\CC(CC(C)C)OCCF
InChIInChI=1S/C11H21FO/c1-4-5-6-11(9-10(2)3)13-8-7-12/h4-5,10-11H,6-9H2,1-3H3/b5-4-
InChIKeyIBIQHJJFLSERME-PLNGDYQASA-N
MW188.29 g/mol
LogP3.35
Rot. Bonds7

About (Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene

(Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene (PubChem CID 167082359) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is (Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene.

Molecular Properties

Compound Name(Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene
PubChem CID167082359
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name(Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene
SMILESC/C=C\CC(CC(C)C)OCCF
InChIInChI=1S/C11H21FO/c1-4-5-6-11(9-10(2)3)13-8-7-12/h4-5,10-11H,6-9H2,1-3H3/b5-4-
InChIKeyIBIQHJJFLSERME-PLNGDYQASA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene 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 (Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene?
The IUPAC name of (Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene (CID 167082359) is (Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene.
What is the SMILES notation for (Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene?
The canonical SMILES for (Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene is C/C=C\CC(CC(C)C)OCCF.
What is the InChIKey of (Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene?
The InChIKey is IBIQHJJFLSERME-PLNGDYQASA-N. The full InChI is InChI=1S/C11H21FO/c1-4-5-6-11(9-10(2)3)13-8-7-12/h4-5,10-11H,6-9H2,1-3H3/b5-4-.
What are the key properties of (Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene?
(Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene has a molecular weight of 188.29 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(2-fluoroethoxy)-7-methyloct-2-ene is sourced from PubChem (CID 167082359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).