3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene

C11H17FO — CID 146550843

IUPAC3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene
SMILESCOCCC1(C)C=C(F)C(C)=CC1
InChIInChI=1S/C11H17FO/c1-9-4-5-11(2,6-7-13-3)8-10(9)12/h4,8H,5-7H2,1-3H3
InChIKeyKHBUGWAROOKKKF-UHFFFAOYSA-N
MW184.25 g/mol
LogP3.23
Rot. Bonds3

About 3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene

3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene (PubChem CID 146550843) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is 3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene
PubChem CID146550843
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene
SMILESCOCCC1(C)C=C(F)C(C)=CC1
InChIInChI=1S/C11H17FO/c1-9-4-5-11(2,6-7-13-3)8-10(9)12/h4,8H,5-7H2,1-3H3
InChIKeyKHBUGWAROOKKKF-UHFFFAOYSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene 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 3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of 3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene (CID 146550843) is 3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene is COCCC1(C)C=C(F)C(C)=CC1.
What is the InChIKey of 3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene?
The InChIKey is KHBUGWAROOKKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO/c1-9-4-5-11(2,6-7-13-3)8-10(9)12/h4,8H,5-7H2,1-3H3.
What are the key properties of 3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene?
3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene has a molecular weight of 184.25 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 146550843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).