9-[[1-(2,2-difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane

C15H23F2N3O — CID 167279857

IUPAC9-[[1-(2,2-difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane
SMILESCC(F)(F)Cn1ccnc1CN1CCOC2(CCCC2)C1
InChIInChI=1S/C15H23F2N3O/c1-14(16,17)11-20-7-6-18-13(20)10-19-8-9-21-15(12-19)4-2-3-5-15/h6-7H,2-5,8-12H2,1H3
InChIKeyQZTGAXIGHSYGQK-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.68
Rot. Bonds4

About 9-[[1-(2,2-difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane

9-[[1-(2,2-difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane (PubChem CID 167279857) has the molecular formula C15H23F2N3O and a molecular weight of 299.36 g/mol. Its IUPAC name is 9-[[1-(2,2-difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[[1-(2,2-difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane
PubChem CID167279857
Molecular FormulaC15H23F2N3O
Molecular Weight299.36 g/mol
Exact Mass299.18
IUPAC Name9-[[1-(2,2-difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane
SMILESCC(F)(F)Cn1ccnc1CN1CCOC2(CCCC2)C1
InChIInChI=1S/C15H23F2N3O/c1-14(16,17)11-20-7-6-18-13(20)10-19-8-9-21-15(12-19)4-2-3-5-15/h6-7H,2-5,8-12H2,1H3
InChIKeyQZTGAXIGHSYGQK-UHFFFAOYSA-N
XLogP2.68
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[[1-(2,2-difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[[1-(2,2-difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane (CID 167279857) is 9-[[1-(2,2-difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[[1-(2,2-difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[[1-(2,2-difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane is CC(F)(F)Cn1ccnc1CN1CCOC2(CCCC2)C1.
What is the InChIKey of 9-[[1-(2,2-difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is QZTGAXIGHSYGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O/c1-14(16,17)11-20-7-6-18-13(20)10-19-8-9-21-15(12-19)4-2-3-5-15/h6-7H,2-5,8-12H2,1H3.
What are the key properties of 9-[[1-(2,2-difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane?
9-[[1-(2,2-difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 299.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[1-(2,2-difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 167279857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).