10-(2,2-difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione

C12H18F2N2O2 — CID 64882053

IUPAC10-(2,2-difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCC1CC(=O)NC2(CCCC2)C(=O)N1CC(F)F
InChIInChI=1S/C12H18F2N2O2/c1-8-6-10(17)15-12(4-2-3-5-12)11(18)16(8)7-9(13)14/h8-9H,2-7H2,1H3,(H,15,17)
InChIKeyAOPRYZRJCQWZST-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.30
Rot. Bonds2

About 10-(2,2-difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione

10-(2,2-difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 64882053) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is 10-(2,2-difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name10-(2,2-difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID64882053
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC Name10-(2,2-difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCC1CC(=O)NC2(CCCC2)C(=O)N1CC(F)F
InChIInChI=1S/C12H18F2N2O2/c1-8-6-10(17)15-12(4-2-3-5-12)11(18)16(8)7-9(13)14/h8-9H,2-7H2,1H3,(H,15,17)
InChIKeyAOPRYZRJCQWZST-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(2,2-difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 10-(2,2-difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 64882053) is 10-(2,2-difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 10-(2,2-difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 10-(2,2-difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione is CC1CC(=O)NC2(CCCC2)C(=O)N1CC(F)F.
What is the InChIKey of 10-(2,2-difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is AOPRYZRJCQWZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c1-8-6-10(17)15-12(4-2-3-5-12)11(18)16(8)7-9(13)14/h8-9H,2-7H2,1H3,(H,15,17).
What are the key properties of 10-(2,2-difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione?
10-(2,2-difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione has a molecular weight of 260.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,2-difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 64882053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).