6-(2,2-difluoropropyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane

C11H20F2N2 — CID 134506557

IUPAC6-(2,2-difluoropropyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)N1CC2CC(C1)N2CC(C)(F)F
InChIInChI=1S/C11H20F2N2/c1-8(2)14-5-9-4-10(6-14)15(9)7-11(3,12)13/h8-10H,4-7H2,1-3H3
InChIKeyKBULSSJABGDBAB-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.81
Rot. Bonds3

About 6-(2,2-difluoropropyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane

6-(2,2-difluoropropyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 134506557) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 6-(2,2-difluoropropyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-(2,2-difluoropropyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID134506557
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name6-(2,2-difluoropropyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)N1CC2CC(C1)N2CC(C)(F)F
InChIInChI=1S/C11H20F2N2/c1-8(2)14-5-9-4-10(6-14)15(9)7-11(3,12)13/h8-10H,4-7H2,1-3H3
InChIKeyKBULSSJABGDBAB-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoropropyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-(2,2-difluoropropyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane (CID 134506557) is 6-(2,2-difluoropropyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-(2,2-difluoropropyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-(2,2-difluoropropyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane is CC(C)N1CC2CC(C1)N2CC(C)(F)F.
What is the InChIKey of 6-(2,2-difluoropropyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is KBULSSJABGDBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-8(2)14-5-9-4-10(6-14)15(9)7-11(3,12)13/h8-10H,4-7H2,1-3H3.
What are the key properties of 6-(2,2-difluoropropyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
6-(2,2-difluoropropyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 218.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoropropyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 134506557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).