(5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane

C7H11F2NO — CID 176763981

IUPAC(5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane
SMILESFC(F)OC1CC2C[C@@H](C1)N2
InChIInChI=1S/C7H11F2NO/c8-7(9)11-6-2-4-1-5(3-6)10-4/h4-7,10H,1-3H2/t4-,5?,6?/m0/s1
InChIKeyWZUINKMSGHRCRG-KXGSVCODSA-N
MW163.17 g/mol
LogP1.12
Rot. Bonds2

About (5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane

(5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane (PubChem CID 176763981) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is (5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name(5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane
PubChem CID176763981
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane
SMILESFC(F)OC1CC2C[C@@H](C1)N2
InChIInChI=1S/C7H11F2NO/c8-7(9)11-6-2-4-1-5(3-6)10-4/h4-7,10H,1-3H2/t4-,5?,6?/m0/s1
InChIKeyWZUINKMSGHRCRG-KXGSVCODSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane?
The IUPAC name of (5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane (CID 176763981) is (5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for (5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for (5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane is FC(F)OC1CC2C[C@@H](C1)N2.
What is the InChIKey of (5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane?
The InChIKey is WZUINKMSGHRCRG-KXGSVCODSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-7(9)11-6-2-4-1-5(3-6)10-4/h4-7,10H,1-3H2/t4-,5?,6?/m0/s1.
What are the key properties of (5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane?
(5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane has a molecular weight of 163.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(difluoromethoxy)-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 176763981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).