7-(2-fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde

C11H18FNO — CID 166702370

IUPAC7-(2-fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde
SMILESO=CC1CC2(CCN(CCF)CC2)C1
InChIInChI=1S/C11H18FNO/c12-3-6-13-4-1-11(2-5-13)7-10(8-11)9-14/h9-10H,1-8H2
InChIKeyAOGPOJUNQNPKPH-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.65
Rot. Bonds3

About 7-(2-fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde

7-(2-fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde (PubChem CID 166702370) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 7-(2-fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde.

Molecular Properties

Compound Name7-(2-fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde
PubChem CID166702370
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name7-(2-fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde
SMILESO=CC1CC2(CCN(CCF)CC2)C1
InChIInChI=1S/C11H18FNO/c12-3-6-13-4-1-11(2-5-13)7-10(8-11)9-14/h9-10H,1-8H2
InChIKeyAOGPOJUNQNPKPH-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde?
The IUPAC name of 7-(2-fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde (CID 166702370) is 7-(2-fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde.
What is the SMILES notation for 7-(2-fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde?
The canonical SMILES for 7-(2-fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde is O=CC1CC2(CCN(CCF)CC2)C1.
What is the InChIKey of 7-(2-fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde?
The InChIKey is AOGPOJUNQNPKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c12-3-6-13-4-1-11(2-5-13)7-10(8-11)9-14/h9-10H,1-8H2.
What are the key properties of 7-(2-fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde?
7-(2-fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde has a molecular weight of 199.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoroethyl)-7-azaspiro[3.5]nonane-2-carbaldehyde is sourced from PubChem (CID 166702370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).