1-tert-butyl-5-fluoro-2-methylcyclopenta-1,3-diene

C10H15F — CID 122644610

IUPAC1-tert-butyl-5-fluoro-2-methylcyclopenta-1,3-diene
SMILESCC1=C(C(C)(C)C)C(F)C=C1
InChIInChI=1S/C10H15F/c1-7-5-6-8(11)9(7)10(2,3)4/h5-6,8H,1-4H3
InChIKeyXWJKPJILKDBWTG-UHFFFAOYSA-N
MW154.23 g/mol
LogP3.26
Rot. Bonds

About 1-tert-butyl-5-fluoro-2-methylcyclopenta-1,3-diene

1-tert-butyl-5-fluoro-2-methylcyclopenta-1,3-diene (PubChem CID 122644610) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is 1-tert-butyl-5-fluoro-2-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-tert-butyl-5-fluoro-2-methylcyclopenta-1,3-diene
PubChem CID122644610
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name1-tert-butyl-5-fluoro-2-methylcyclopenta-1,3-diene
SMILESCC1=C(C(C)(C)C)C(F)C=C1
InChIInChI=1S/C10H15F/c1-7-5-6-8(11)9(7)10(2,3)4/h5-6,8H,1-4H3
InChIKeyXWJKPJILKDBWTG-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-5-fluoro-2-methylcyclopenta-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 1-tert-butyl-5-fluoro-2-methylcyclopenta-1,3-diene?
The IUPAC name of 1-tert-butyl-5-fluoro-2-methylcyclopenta-1,3-diene (CID 122644610) is 1-tert-butyl-5-fluoro-2-methylcyclopenta-1,3-diene.
What is the SMILES notation for 1-tert-butyl-5-fluoro-2-methylcyclopenta-1,3-diene?
The canonical SMILES for 1-tert-butyl-5-fluoro-2-methylcyclopenta-1,3-diene is CC1=C(C(C)(C)C)C(F)C=C1.
What is the InChIKey of 1-tert-butyl-5-fluoro-2-methylcyclopenta-1,3-diene?
The InChIKey is XWJKPJILKDBWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F/c1-7-5-6-8(11)9(7)10(2,3)4/h5-6,8H,1-4H3.
What are the key properties of 1-tert-butyl-5-fluoro-2-methylcyclopenta-1,3-diene?
1-tert-butyl-5-fluoro-2-methylcyclopenta-1,3-diene has a molecular weight of 154.23 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-fluoro-2-methylcyclopenta-1,3-diene is sourced from PubChem (CID 122644610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).