1-fluoro-4-(2-methylpropyl)cubane

C12H15F — CID 59461278

IUPAC1-fluoro-4-(2-methylpropyl)cubane
SMILESCC(C)CC12C3C4C1C1C2C3C41F
InChIInChI=1S/C12H15F/c1-4(2)3-11-5-8-6(11)10-7(11)9(5)12(8,10)13/h4-10H,3H2,1-2H3
InChIKeyAOLOZLZZLWNVHZ-UHFFFAOYSA-N
MW178.25 g/mol
LogP2.49
Rot. Bonds2

About 1-fluoro-4-(2-methylpropyl)cubane

1-fluoro-4-(2-methylpropyl)cubane (PubChem CID 59461278) has the molecular formula C12H15F and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-fluoro-4-(2-methylpropyl)cubane.

Molecular Properties

Compound Name1-fluoro-4-(2-methylpropyl)cubane
PubChem CID59461278
Molecular FormulaC12H15F
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name1-fluoro-4-(2-methylpropyl)cubane
SMILESCC(C)CC12C3C4C1C1C2C3C41F
InChIInChI=1S/C12H15F/c1-4(2)3-11-5-8-6(11)10-7(11)9(5)12(8,10)13/h4-10H,3H2,1-2H3
InChIKeyAOLOZLZZLWNVHZ-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-4-(2-methylpropyl)cubane 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-fluoro-4-(2-methylpropyl)cubane?
The IUPAC name of 1-fluoro-4-(2-methylpropyl)cubane (CID 59461278) is 1-fluoro-4-(2-methylpropyl)cubane.
What is the SMILES notation for 1-fluoro-4-(2-methylpropyl)cubane?
The canonical SMILES for 1-fluoro-4-(2-methylpropyl)cubane is CC(C)CC12C3C4C1C1C2C3C41F.
What is the InChIKey of 1-fluoro-4-(2-methylpropyl)cubane?
The InChIKey is AOLOZLZZLWNVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F/c1-4(2)3-11-5-8-6(11)10-7(11)9(5)12(8,10)13/h4-10H,3H2,1-2H3.
What are the key properties of 1-fluoro-4-(2-methylpropyl)cubane?
1-fluoro-4-(2-methylpropyl)cubane has a molecular weight of 178.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-methylpropyl)cubane is sourced from PubChem (CID 59461278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).