2-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane

C15H24F4 — CID 148863284

IUPAC2-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane
SMILESCC(C)(C)C1CC(CC(C)(C)C2CC2(F)F)C1(F)F
InChIInChI=1S/C15H24F4/c1-12(2,3)10-6-9(15(10,18)19)7-13(4,5)11-8-14(11,16)17/h9-11H,6-8H2,1-5H3
InChIKeyOZTAJBZJEXQMJX-UHFFFAOYSA-N
MW280.35 g/mol
LogP5.38
Rot. Bonds3

About 2-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane

2-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane (PubChem CID 148863284) has the molecular formula C15H24F4 and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane.

Molecular Properties

Compound Name2-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane
PubChem CID148863284
Molecular FormulaC15H24F4
Molecular Weight280.35 g/mol
Exact Mass280.18
IUPAC Name2-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane
SMILESCC(C)(C)C1CC(CC(C)(C)C2CC2(F)F)C1(F)F
InChIInChI=1S/C15H24F4/c1-12(2,3)10-6-9(15(10,18)19)7-13(4,5)11-8-14(11,16)17/h9-11H,6-8H2,1-5H3
InChIKeyOZTAJBZJEXQMJX-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.35
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane 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-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane?
The IUPAC name of 2-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane (CID 148863284) is 2-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane.
What is the SMILES notation for 2-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane?
The canonical SMILES for 2-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane is CC(C)(C)C1CC(CC(C)(C)C2CC2(F)F)C1(F)F.
What is the InChIKey of 2-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane?
The InChIKey is OZTAJBZJEXQMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F4/c1-12(2,3)10-6-9(15(10,18)19)7-13(4,5)11-8-14(11,16)17/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane?
2-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane has a molecular weight of 280.35 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[2-(2,2-difluorocyclopropyl)-2-methylpropyl]-1,1-difluorocyclobutane is sourced from PubChem (CID 148863284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).