2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene

C10H15F — CID 141404959

IUPAC2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1C=CC(F)=CC1C
InChIInChI=1S/C10H15F/c1-7(2)10-5-4-9(11)6-8(10)3/h4-8,10H,1-3H3
InChIKeySBGAFHKLOWSEJX-UHFFFAOYSA-N
MW154.23 g/mol
LogP3.32
Rot. Bonds1

About 2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene

2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 141404959) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is 2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID141404959
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1C=CC(F)=CC1C
InChIInChI=1S/C10H15F/c1-7(2)10-5-4-9(11)6-8(10)3/h4-8,10H,1-3H3
InChIKeySBGAFHKLOWSEJX-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-fluoro-6-methyl-5-propan-2-ylcyclohexa-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 2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene (CID 141404959) is 2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene is CC(C)C1C=CC(F)=CC1C.
What is the InChIKey of 2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is SBGAFHKLOWSEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F/c1-7(2)10-5-4-9(11)6-8(10)3/h4-8,10H,1-3H3.
What are the key properties of 2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene?
2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 154.23 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 141404959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).