(1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane

C8H13F2N — CID 124680756

IUPAC(1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane
SMILESFC(F)C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C8H13F2N/c9-8(10)5-3-6-1-2-7(4-5)11-6/h5-8,11H,1-4H2/t5?,6-,7+
InChIKeyHONKFABBLXWQGN-DGUCWDHESA-N
MW161.19 g/mol
LogP1.78
Rot. Bonds1

About (1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane

(1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 124680756) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is (1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane
PubChem CID124680756
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name(1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane
SMILESFC(F)C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C8H13F2N/c9-8(10)5-3-6-1-2-7(4-5)11-6/h5-8,11H,1-4H2/t5?,6-,7+
InChIKeyHONKFABBLXWQGN-DGUCWDHESA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane (CID 124680756) is (1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane is FC(F)C1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is HONKFABBLXWQGN-DGUCWDHESA-N. The full InChI is InChI=1S/C8H13F2N/c9-8(10)5-3-6-1-2-7(4-5)11-6/h5-8,11H,1-4H2/t5?,6-,7+.
What are the key properties of (1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane?
(1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 161.19 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 124680756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).