2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane

C10H17F2NO — CID 172537119

IUPAC2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane
SMILESCC(C)C1CC2COC(F)(F)C(C1)N2
InChIInChI=1S/C10H17F2NO/c1-6(2)7-3-8-5-14-10(11,12)9(4-7)13-8/h6-9,13H,3-5H2,1-2H3
InChIKeyBPOSKGKBLFONNB-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.00
Rot. Bonds1

About 2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane

2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane (PubChem CID 172537119) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane
PubChem CID172537119
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane
SMILESCC(C)C1CC2COC(F)(F)C(C1)N2
InChIInChI=1S/C10H17F2NO/c1-6(2)7-3-8-5-14-10(11,12)9(4-7)13-8/h6-9,13H,3-5H2,1-2H3
InChIKeyBPOSKGKBLFONNB-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane 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 2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane (CID 172537119) is 2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane is CC(C)C1CC2COC(F)(F)C(C1)N2.
What is the InChIKey of 2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane?
The InChIKey is BPOSKGKBLFONNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-6(2)7-3-8-5-14-10(11,12)9(4-7)13-8/h6-9,13H,3-5H2,1-2H3.
What are the key properties of 2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane?
2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane has a molecular weight of 205.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-7-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 172537119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).