4-(2,2-difluoroethyl)-11-methyl-2-azaspiro[5.5]undecan-11-ol

C13H23F2NO — CID 123475732

IUPAC4-(2,2-difluoroethyl)-11-methyl-2-azaspiro[5.5]undecan-11-ol
SMILESCC1(O)CCCCC12CNCC(CC(F)F)C2
InChIInChI=1S/C13H23F2NO/c1-12(17)4-2-3-5-13(12)7-10(6-11(14)15)8-16-9-13/h10-11,16-17H,2-9H2,1H3
InChIKeyAWVGLPQIJIHHHC-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.56
Rot. Bonds2

About 4-(2,2-difluoroethyl)-11-methyl-2-azaspiro[5.5]undecan-11-ol

4-(2,2-difluoroethyl)-11-methyl-2-azaspiro[5.5]undecan-11-ol (PubChem CID 123475732) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-11-methyl-2-azaspiro[5.5]undecan-11-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-11-methyl-2-azaspiro[5.5]undecan-11-ol
PubChem CID123475732
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name4-(2,2-difluoroethyl)-11-methyl-2-azaspiro[5.5]undecan-11-ol
SMILESCC1(O)CCCCC12CNCC(CC(F)F)C2
InChIInChI=1S/C13H23F2NO/c1-12(17)4-2-3-5-13(12)7-10(6-11(14)15)8-16-9-13/h10-11,16-17H,2-9H2,1H3
InChIKeyAWVGLPQIJIHHHC-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-11-methyl-2-azaspiro[5.5]undecan-11-ol?
The IUPAC name of 4-(2,2-difluoroethyl)-11-methyl-2-azaspiro[5.5]undecan-11-ol (CID 123475732) is 4-(2,2-difluoroethyl)-11-methyl-2-azaspiro[5.5]undecan-11-ol.
What is the SMILES notation for 4-(2,2-difluoroethyl)-11-methyl-2-azaspiro[5.5]undecan-11-ol?
The canonical SMILES for 4-(2,2-difluoroethyl)-11-methyl-2-azaspiro[5.5]undecan-11-ol is CC1(O)CCCCC12CNCC(CC(F)F)C2.
What is the InChIKey of 4-(2,2-difluoroethyl)-11-methyl-2-azaspiro[5.5]undecan-11-ol?
The InChIKey is AWVGLPQIJIHHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-12(17)4-2-3-5-13(12)7-10(6-11(14)15)8-16-9-13/h10-11,16-17H,2-9H2,1H3.
What are the key properties of 4-(2,2-difluoroethyl)-11-methyl-2-azaspiro[5.5]undecan-11-ol?
4-(2,2-difluoroethyl)-11-methyl-2-azaspiro[5.5]undecan-11-ol has a molecular weight of 247.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-11-methyl-2-azaspiro[5.5]undecan-11-ol is sourced from PubChem (CID 123475732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).