3,3-difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane

C11H17F2N — CID 164943374

IUPAC3,3-difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane
SMILESCC(C)C12CCCN1CC1C2C1(F)F
InChIInChI=1S/C11H17F2N/c1-7(2)10-4-3-5-14(10)6-8-9(10)11(8,12)13/h7-9H,3-6H2,1-2H3
InChIKeySRKPJAFSCAKLPD-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.37
Rot. Bonds1

About 3,3-difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane

3,3-difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane (PubChem CID 164943374) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane
PubChem CID164943374
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name3,3-difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane
SMILESCC(C)C12CCCN1CC1C2C1(F)F
InChIInChI=1S/C11H17F2N/c1-7(2)10-4-3-5-14(10)6-8-9(10)11(8,12)13/h7-9H,3-6H2,1-2H3
InChIKeySRKPJAFSCAKLPD-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane?
The IUPAC name of 3,3-difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane (CID 164943374) is 3,3-difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane.
What is the SMILES notation for 3,3-difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane?
The canonical SMILES for 3,3-difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane is CC(C)C12CCCN1CC1C2C1(F)F.
What is the InChIKey of 3,3-difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane?
The InChIKey is SRKPJAFSCAKLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N/c1-7(2)10-4-3-5-14(10)6-8-9(10)11(8,12)13/h7-9H,3-6H2,1-2H3.
What are the key properties of 3,3-difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane?
3,3-difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane has a molecular weight of 201.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane is sourced from PubChem (CID 164943374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).