6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene

C9H13F — CID 139457511

IUPAC6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene
SMILESCCC1C=CC=CC1(C)F
InChIInChI=1S/C9H13F/c1-3-8-6-4-5-7-9(8,2)10/h4-8H,3H2,1-2H3
InChIKeyMOZAFOMGPOFQNU-UHFFFAOYSA-N
MW140.20 g/mol
LogP2.87
Rot. Bonds1

About 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene

6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene (PubChem CID 139457511) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene
PubChem CID139457511
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene
SMILESCCC1C=CC=CC1(C)F
InChIInChI=1S/C9H13F/c1-3-8-6-4-5-7-9(8,2)10/h4-8H,3H2,1-2H3
InChIKeyMOZAFOMGPOFQNU-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-ethyl-5-fluoro-5-methylcyclohexa-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 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene?
The IUPAC name of 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene (CID 139457511) is 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene is CCC1C=CC=CC1(C)F.
What is the InChIKey of 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene?
The InChIKey is MOZAFOMGPOFQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F/c1-3-8-6-4-5-7-9(8,2)10/h4-8H,3H2,1-2H3.
What are the key properties of 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene?
6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene has a molecular weight of 140.20 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 139457511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).