3-(difluoromethoxy)-6-propan-2-yl-6-azabicyclo[3.1.1]heptane

C10H17F2NO — CID 169176641

IUPAC3-(difluoromethoxy)-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
SMILESCC(C)N1C2CC(OC(F)F)CC1C2
InChIInChI=1S/C10H17F2NO/c1-6(2)13-7-3-8(13)5-9(4-7)14-10(11)12/h6-10H,3-5H2,1-2H3
InChIKeyPJJRTRYDFGBSRD-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.24
Rot. Bonds3

About 3-(difluoromethoxy)-6-propan-2-yl-6-azabicyclo[3.1.1]heptane

3-(difluoromethoxy)-6-propan-2-yl-6-azabicyclo[3.1.1]heptane (PubChem CID 169176641) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6-propan-2-yl-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-(difluoromethoxy)-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
PubChem CID169176641
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-(difluoromethoxy)-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
SMILESCC(C)N1C2CC(OC(F)F)CC1C2
InChIInChI=1S/C10H17F2NO/c1-6(2)13-7-3-8(13)5-9(4-7)14-10(11)12/h6-10H,3-5H2,1-2H3
InChIKeyPJJRTRYDFGBSRD-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6-propan-2-yl-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-(difluoromethoxy)-6-propan-2-yl-6-azabicyclo[3.1.1]heptane (CID 169176641) is 3-(difluoromethoxy)-6-propan-2-yl-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-(difluoromethoxy)-6-propan-2-yl-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-(difluoromethoxy)-6-propan-2-yl-6-azabicyclo[3.1.1]heptane is CC(C)N1C2CC(OC(F)F)CC1C2.
What is the InChIKey of 3-(difluoromethoxy)-6-propan-2-yl-6-azabicyclo[3.1.1]heptane?
The InChIKey is PJJRTRYDFGBSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-6(2)13-7-3-8(13)5-9(4-7)14-10(11)12/h6-10H,3-5H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-6-propan-2-yl-6-azabicyclo[3.1.1]heptane?
3-(difluoromethoxy)-6-propan-2-yl-6-azabicyclo[3.1.1]heptane has a molecular weight of 205.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6-propan-2-yl-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 169176641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).