(5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one

C10H16F2N2O — CID 177212640

IUPAC(5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one
SMILESCN1C[C@]2(CCN(CC(F)F)C2)CC1=O
InChIInChI=1S/C10H16F2N2O/c1-13-6-10(4-9(13)15)2-3-14(7-10)5-8(11)12/h8H,2-7H2,1H3/t10-/m0/s1
InChIKeyPIMHRMNRJRLDSI-JTQLQIEISA-N
MW218.25 g/mol
LogP0.81
Rot. Bonds2

About (5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one

(5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one (PubChem CID 177212640) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is (5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one.

Molecular Properties

Compound Name(5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one
PubChem CID177212640
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one
SMILESCN1C[C@]2(CCN(CC(F)F)C2)CC1=O
InChIInChI=1S/C10H16F2N2O/c1-13-6-10(4-9(13)15)2-3-14(7-10)5-8(11)12/h8H,2-7H2,1H3/t10-/m0/s1
InChIKeyPIMHRMNRJRLDSI-JTQLQIEISA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one?
The IUPAC name of (5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one (CID 177212640) is (5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one.
What is the SMILES notation for (5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one?
The canonical SMILES for (5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one is CN1C[C@]2(CCN(CC(F)F)C2)CC1=O.
What is the InChIKey of (5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one?
The InChIKey is PIMHRMNRJRLDSI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-13-6-10(4-9(13)15)2-3-14(7-10)5-8(11)12/h8H,2-7H2,1H3/t10-/m0/s1.
What are the key properties of (5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one?
(5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one has a molecular weight of 218.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one is sourced from PubChem (CID 177212640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).