3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane

C10H17F2N — CID 58074467

IUPAC3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CC(F)(F)C2
InChIInChI=1S/C10H17F2N/c1-7(2)13-8-3-4-9(13)6-10(11,12)5-8/h7-9H,3-6H2,1-2H3
InChIKeyMMCXRQOLFWVBSS-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.66
Rot. Bonds1

About 3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane

3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 58074467) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID58074467
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CC(F)(F)C2
InChIInChI=1S/C10H17F2N/c1-7(2)13-8-3-4-9(13)6-10(11,12)5-8/h7-9H,3-6H2,1-2H3
InChIKeyMMCXRQOLFWVBSS-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 58074467) is 3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane is CC(C)N1C2CCC1CC(F)(F)C2.
What is the InChIKey of 3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is MMCXRQOLFWVBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7(2)13-8-3-4-9(13)6-10(11,12)5-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 189.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58074467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).