1-(5-azaspiro[2.4]heptan-5-yl)-3-fluoropropan-2-ol

C9H16FNO — CID 131149730

IUPAC1-(5-azaspiro[2.4]heptan-5-yl)-3-fluoropropan-2-ol
SMILESOC(CF)CN1CCC2(CC2)C1
InChIInChI=1S/C9H16FNO/c10-5-8(12)6-11-4-3-9(7-11)1-2-9/h8,12H,1-7H2
InChIKeyBIKGJQXHYQZUJD-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.80
Rot. Bonds3

About 1-(5-azaspiro[2.4]heptan-5-yl)-3-fluoropropan-2-ol

1-(5-azaspiro[2.4]heptan-5-yl)-3-fluoropropan-2-ol (PubChem CID 131149730) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-(5-azaspiro[2.4]heptan-5-yl)-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-(5-azaspiro[2.4]heptan-5-yl)-3-fluoropropan-2-ol
PubChem CID131149730
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name1-(5-azaspiro[2.4]heptan-5-yl)-3-fluoropropan-2-ol
SMILESOC(CF)CN1CCC2(CC2)C1
InChIInChI=1S/C9H16FNO/c10-5-8(12)6-11-4-3-9(7-11)1-2-9/h8,12H,1-7H2
InChIKeyBIKGJQXHYQZUJD-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 1-(5-azaspiro[2.4]heptan-5-yl)-3-fluoropropan-2-ol?
The IUPAC name of 1-(5-azaspiro[2.4]heptan-5-yl)-3-fluoropropan-2-ol (CID 131149730) is 1-(5-azaspiro[2.4]heptan-5-yl)-3-fluoropropan-2-ol.
What is the SMILES notation for 1-(5-azaspiro[2.4]heptan-5-yl)-3-fluoropropan-2-ol?
The canonical SMILES for 1-(5-azaspiro[2.4]heptan-5-yl)-3-fluoropropan-2-ol is OC(CF)CN1CCC2(CC2)C1.
What is the InChIKey of 1-(5-azaspiro[2.4]heptan-5-yl)-3-fluoropropan-2-ol?
The InChIKey is BIKGJQXHYQZUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-5-8(12)6-11-4-3-9(7-11)1-2-9/h8,12H,1-7H2.
What are the key properties of 1-(5-azaspiro[2.4]heptan-5-yl)-3-fluoropropan-2-ol?
1-(5-azaspiro[2.4]heptan-5-yl)-3-fluoropropan-2-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 1-(5-azaspiro[2.4]heptan-5-yl)-3-fluoropropan-2-ol is sourced from PubChem (CID 131149730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).