6-(3,3-difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane

C10H16F2N2 — CID 118974481

IUPAC6-(3,3-difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane
SMILESCN1CC2(CC(N3CC(F)(F)C3)C2)C1
InChIInChI=1S/C10H16F2N2/c1-13-4-9(5-13)2-8(3-9)14-6-10(11,12)7-14/h8H,2-7H2,1H3
InChIKeyZVBHBPUWVCVTNO-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.03
Rot. Bonds1

About 6-(3,3-difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane

6-(3,3-difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane (PubChem CID 118974481) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 6-(3,3-difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(3,3-difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane
PubChem CID118974481
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name6-(3,3-difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane
SMILESCN1CC2(CC(N3CC(F)(F)C3)C2)C1
InChIInChI=1S/C10H16F2N2/c1-13-4-9(5-13)2-8(3-9)14-6-10(11,12)7-14/h8H,2-7H2,1H3
InChIKeyZVBHBPUWVCVTNO-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane?
The IUPAC name of 6-(3,3-difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane (CID 118974481) is 6-(3,3-difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(3,3-difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-(3,3-difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane is CN1CC2(CC(N3CC(F)(F)C3)C2)C1.
What is the InChIKey of 6-(3,3-difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane?
The InChIKey is ZVBHBPUWVCVTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-13-4-9(5-13)2-8(3-9)14-6-10(11,12)7-14/h8H,2-7H2,1H3.
What are the key properties of 6-(3,3-difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane?
6-(3,3-difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane has a molecular weight of 202.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 118974481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).