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

C30H57F6N3 — CID 163454860

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;methane
SMILESC.C.C.CC(C)N1C2CC1CC(F)(F)C2.CC(C)N1CC2CC(C1)C2(F)F.CC(C)N1CC2CC1CC2(F)F
InChIInChI=1S/3C9H15F2N.3CH4/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;3*1H4
InChIKeyBJOQIQIFZNHJFZ-UHFFFAOYSA-N
MW573.80 g/mol
LogP8.28
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;methane

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 (PubChem CID 163454860) has the molecular formula C30H57F6N3 and a molecular weight of 573.80 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;methane.

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;methane
PubChem CID163454860
Molecular FormulaC30H57F6N3
Molecular Weight573.80 g/mol
Exact Mass573.45
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;methane
SMILESC.C.C.CC(C)N1C2CC1CC(F)(F)C2.CC(C)N1CC2CC(C1)C2(F)F.CC(C)N1CC2CC1CC2(F)F
InChIInChI=1S/3C9H15F2N.3CH4/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;3*1H4
InChIKeyBJOQIQIFZNHJFZ-UHFFFAOYSA-N
XLogP8.28
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.80
LogP ≤ 58.28
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;methane with MolForge

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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
CID 163560561
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;methane?
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;methane (CID 163454860) 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;methane.
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;methane?
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;methane is C.C.C.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;methane?
The InChIKey is BJOQIQIFZNHJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H15F2N.3CH4/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;3*1H4.
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;methane?
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 has a molecular weight of 573.80 g/mol, XLogP of 8.28, 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;methane is sourced from PubChem (CID 163454860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).