(5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane

C11H20FNO2 — CID 129349121

IUPAC(5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane
SMILESC[C@@H](F)CCN1CCOC[C@@]12CCOC2
InChIInChI=1S/C11H20FNO2/c1-10(12)2-4-13-5-7-15-9-11(13)3-6-14-8-11/h10H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyRCXOWWNNPJEQQN-MNOVXSKESA-N
MW217.28 g/mol
LogP1.23
Rot. Bonds3

About (5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane

(5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane (PubChem CID 129349121) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is (5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane
PubChem CID129349121
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name(5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane
SMILESC[C@@H](F)CCN1CCOC[C@@]12CCOC2
InChIInChI=1S/C11H20FNO2/c1-10(12)2-4-13-5-7-15-9-11(13)3-6-14-8-11/h10H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyRCXOWWNNPJEQQN-MNOVXSKESA-N
XLogP1.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane?
The IUPAC name of (5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane (CID 129349121) is (5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane.
What is the SMILES notation for (5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane?
The canonical SMILES for (5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane is C[C@@H](F)CCN1CCOC[C@@]12CCOC2.
What is the InChIKey of (5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane?
The InChIKey is RCXOWWNNPJEQQN-MNOVXSKESA-N. The full InChI is InChI=1S/C11H20FNO2/c1-10(12)2-4-13-5-7-15-9-11(13)3-6-14-8-11/h10H,2-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of (5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane?
(5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane has a molecular weight of 217.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane is sourced from PubChem (CID 129349121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).