4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-1,3-diene

C11H15FO — CID 129180606

IUPAC4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-1,3-diene
SMILESC=CC1=CC=C(CCOC)CC1F
InChIInChI=1S/C11H15FO/c1-3-10-5-4-9(6-7-13-2)8-11(10)12/h3-5,11H,1,6-8H2,2H3
InChIKeyTUVMFBXZYULBPE-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.80
Rot. Bonds4

About 4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-1,3-diene

4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-1,3-diene (PubChem CID 129180606) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-1,3-diene
PubChem CID129180606
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-1,3-diene
SMILESC=CC1=CC=C(CCOC)CC1F
InChIInChI=1S/C11H15FO/c1-3-10-5-4-9(6-7-13-2)8-11(10)12/h3-5,11H,1,6-8H2,2H3
InChIKeyTUVMFBXZYULBPE-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-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 4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-1,3-diene?
The IUPAC name of 4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-1,3-diene (CID 129180606) is 4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-1,3-diene?
The canonical SMILES for 4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-1,3-diene is C=CC1=CC=C(CCOC)CC1F.
What is the InChIKey of 4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-1,3-diene?
The InChIKey is TUVMFBXZYULBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-3-10-5-4-9(6-7-13-2)8-11(10)12/h3-5,11H,1,6-8H2,2H3.
What are the key properties of 4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-1,3-diene?
4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-1,3-diene has a molecular weight of 182.24 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-fluoro-1-(2-methoxyethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 129180606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).