9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane

C13H21F2NO — CID 178018740

IUPAC9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane
SMILESFC1(F)CC1CN1CCC2(CCCCO2)CC1
InChIInChI=1S/C13H21F2NO/c14-13(15)9-11(13)10-16-6-4-12(5-7-16)3-1-2-8-17-12/h11H,1-10H2
InChIKeyWEKHXHYNROLLRN-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.68
Rot. Bonds2

About 9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane

9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 178018740) has the molecular formula C13H21F2NO and a molecular weight of 245.31 g/mol. Its IUPAC name is 9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane
PubChem CID178018740
Molecular FormulaC13H21F2NO
Molecular Weight245.31 g/mol
Exact Mass245.16
IUPAC Name9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane
SMILESFC1(F)CC1CN1CCC2(CCCCO2)CC1
InChIInChI=1S/C13H21F2NO/c14-13(15)9-11(13)10-16-6-4-12(5-7-16)3-1-2-8-17-12/h11H,1-10H2
InChIKeyWEKHXHYNROLLRN-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane (CID 178018740) is 9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane is FC1(F)CC1CN1CCC2(CCCCO2)CC1.
What is the InChIKey of 9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is WEKHXHYNROLLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO/c14-13(15)9-11(13)10-16-6-4-12(5-7-16)3-1-2-8-17-12/h11H,1-10H2.
What are the key properties of 9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane?
9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 245.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,2-difluorocyclopropyl)methyl]-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 178018740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).