3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane

C27H45F6N3 — CID 163560561

IUPAC3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane
SMILESCC(C)N1C2CC1CC(F)(F)C2.CC(C)N1CC2CC(C1)C2(F)F.CC(C)N1CC2CC1CC2(F)F
InChIInChI=1S/3C9H15F2N/c1-6(2)12-5-7-3-8(12)4-9(7,10)11;1-6(2)12-4-7-3-8(5-12)9(7,10)11;1-6(2)12-7-3-8(12)5-9(10,11)4-7/h3*6-8H,3-5H2,1-2H3
InChIKeyFQWHIQKITJMYNQ-UHFFFAOYSA-N
MW525.67 g/mol
LogP6.37
Rot. Bonds3

About 3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane

3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane (PubChem CID 163560561) has the molecular formula C27H45F6N3 and a molecular weight of 525.67 g/mol. Its IUPAC name is 3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane
PubChem CID163560561
Molecular FormulaC27H45F6N3
Molecular Weight525.67 g/mol
Exact Mass525.35
IUPAC Name3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane
SMILESCC(C)N1C2CC1CC(F)(F)C2.CC(C)N1CC2CC(C1)C2(F)F.CC(C)N1CC2CC1CC2(F)F
InChIInChI=1S/3C9H15F2N/c1-6(2)12-5-7-3-8(12)4-9(7,10)11;1-6(2)12-4-7-3-8(5-12)9(7,10)11;1-6(2)12-7-3-8(12)5-9(10,11)4-7/h3*6-8H,3-5H2,1-2H3
InChIKeyFQWHIQKITJMYNQ-UHFFFAOYSA-N
XLogP6.37
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.67
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-Difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;4,4-difluoro-1-propan-2-ylpiperidine
CID 158676199
3,3-Difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;methane
CID 163454860
Tris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane
CID 161091772

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane (CID 163560561) is 3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane is CC(C)N1C2CC1CC(F)(F)C2.CC(C)N1CC2CC(C1)C2(F)F.CC(C)N1CC2CC1CC2(F)F.
What is the InChIKey of 3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane?
The InChIKey is FQWHIQKITJMYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H15F2N/c1-6(2)12-5-7-3-8(12)4-9(7,10)11;1-6(2)12-4-7-3-8(5-12)9(7,10)11;1-6(2)12-7-3-8(12)5-9(10,11)4-7/h3*6-8H,3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane?
3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane has a molecular weight of 525.67 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 163560561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).