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

C10H18F2N2 — CID 134435856

IUPAC6-(2,2-difluoroethyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)N1CC2CC(C1)N2CC(F)F
InChIInChI=1S/C10H18F2N2/c1-7(2)13-4-8-3-9(5-13)14(8)6-10(11)12/h7-10H,3-6H2,1-2H3
InChIKeyXAOUTZUSXDLDHK-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.42
Rot. Bonds3

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

6-(2,2-difluoroethyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 134435856) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 6-(2,2-difluoroethyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-(2,2-difluoroethyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID134435856
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name6-(2,2-difluoroethyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)N1CC2CC(C1)N2CC(F)F
InChIInChI=1S/C10H18F2N2/c1-7(2)13-4-8-3-9(5-13)14(8)6-10(11)12/h7-10H,3-6H2,1-2H3
InChIKeyXAOUTZUSXDLDHK-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(2,2-difluoroethyl)-3-propan-2-yl-3,6-diazabicyclo[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

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-(2,2-difluoroethyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane (CID 134435856) is 6-(2,2-difluoroethyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-(2,2-difluoroethyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-(2,2-difluoroethyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane is CC(C)N1CC2CC(C1)N2CC(F)F.
What is the InChIKey of 6-(2,2-difluoroethyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is XAOUTZUSXDLDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-7(2)13-4-8-3-9(5-13)14(8)6-10(11)12/h7-10H,3-6H2,1-2H3.
What are the key properties of 6-(2,2-difluoroethyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
6-(2,2-difluoroethyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 204.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethyl)-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 134435856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).