3-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol

C9H16FNO — CID 131264215

IUPAC3-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol
SMILESOCCCN1CC2(CC(F)C2)C1
InChIInChI=1S/C9H16FNO/c10-8-4-9(5-8)6-11(7-9)2-1-3-12/h8,12H,1-7H2
InChIKeyGMVROGNGSOSWHW-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.80
Rot. Bonds3

About 3-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol

3-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol (PubChem CID 131264215) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol
PubChem CID131264215
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name3-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol
SMILESOCCCN1CC2(CC(F)C2)C1
InChIInChI=1S/C9H16FNO/c10-8-4-9(5-8)6-11(7-9)2-1-3-12/h8,12H,1-7H2
InChIKeyGMVROGNGSOSWHW-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol?
The IUPAC name of 3-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol (CID 131264215) is 3-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol.
What is the SMILES notation for 3-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol?
The canonical SMILES for 3-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol is OCCCN1CC2(CC(F)C2)C1.
What is the InChIKey of 3-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol?
The InChIKey is GMVROGNGSOSWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-8-4-9(5-8)6-11(7-9)2-1-3-12/h8,12H,1-7H2.
What are the key properties of 3-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol?
3-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol has a molecular weight of 173.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)propan-1-ol is sourced from PubChem (CID 131264215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).