3-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol;ethane

C11H21F2NO — CID 142524265

IUPAC3-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol;ethane
SMILESCC.OCCCN1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C9H15F2NO.C2H6/c10-9(11)4-8(5-9)6-12(7-8)2-1-3-13;1-2/h13H,1-7H2;1-2H3
InChIKeyQGMQWHIRBXZXTB-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.13
Rot. Bonds3

About 3-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol;ethane

3-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol;ethane (PubChem CID 142524265) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 3-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol;ethane.

Molecular Properties

Compound Name3-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol;ethane
PubChem CID142524265
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name3-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol;ethane
SMILESCC.OCCCN1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C9H15F2NO.C2H6/c10-9(11)4-8(5-9)6-12(7-8)2-1-3-13;1-2/h13H,1-7H2;1-2H3
InChIKeyQGMQWHIRBXZXTB-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol;ethane?
The IUPAC name of 3-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol;ethane (CID 142524265) is 3-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol;ethane.
What is the SMILES notation for 3-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol;ethane?
The canonical SMILES for 3-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol;ethane is CC.OCCCN1CC2(C1)CC(F)(F)C2.
What is the InChIKey of 3-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol;ethane?
The InChIKey is QGMQWHIRBXZXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO.C2H6/c10-9(11)4-8(5-9)6-12(7-8)2-1-3-13;1-2/h13H,1-7H2;1-2H3.
What are the key properties of 3-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol;ethane?
3-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol;ethane has a molecular weight of 221.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol;ethane is sourced from PubChem (CID 142524265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).