(5S)-9-[(3S)-3-fluorobutyl]-2-oxa-9-azaspiro[4.5]decane

C12H22FNO — CID 129348866

IUPAC(5S)-9-[(3S)-3-fluorobutyl]-2-oxa-9-azaspiro[4.5]decane
SMILESC[C@H](F)CCN1CCC[C@]2(CCOC2)C1
InChIInChI=1S/C12H22FNO/c1-11(13)3-7-14-6-2-4-12(9-14)5-8-15-10-12/h11H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyMXWIRSLNUFRHSA-RYUDHWBXSA-N
MW215.31 g/mol
LogP2.24
Rot. Bonds3

About (5S)-9-[(3S)-3-fluorobutyl]-2-oxa-9-azaspiro[4.5]decane

(5S)-9-[(3S)-3-fluorobutyl]-2-oxa-9-azaspiro[4.5]decane (PubChem CID 129348866) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is (5S)-9-[(3S)-3-fluorobutyl]-2-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-9-[(3S)-3-fluorobutyl]-2-oxa-9-azaspiro[4.5]decane
PubChem CID129348866
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name(5S)-9-[(3S)-3-fluorobutyl]-2-oxa-9-azaspiro[4.5]decane
SMILESC[C@H](F)CCN1CCC[C@]2(CCOC2)C1
InChIInChI=1S/C12H22FNO/c1-11(13)3-7-14-6-2-4-12(9-14)5-8-15-10-12/h11H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyMXWIRSLNUFRHSA-RYUDHWBXSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-9-[(3S)-3-fluorobutyl]-2-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (5S)-9-[(3S)-3-fluorobutyl]-2-oxa-9-azaspiro[4.5]decane (CID 129348866) is (5S)-9-[(3S)-3-fluorobutyl]-2-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (5S)-9-[(3S)-3-fluorobutyl]-2-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (5S)-9-[(3S)-3-fluorobutyl]-2-oxa-9-azaspiro[4.5]decane is C[C@H](F)CCN1CCC[C@]2(CCOC2)C1.
What is the InChIKey of (5S)-9-[(3S)-3-fluorobutyl]-2-oxa-9-azaspiro[4.5]decane?
The InChIKey is MXWIRSLNUFRHSA-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H22FNO/c1-11(13)3-7-14-6-2-4-12(9-14)5-8-15-10-12/h11H,2-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of (5S)-9-[(3S)-3-fluorobutyl]-2-oxa-9-azaspiro[4.5]decane?
(5S)-9-[(3S)-3-fluorobutyl]-2-oxa-9-azaspiro[4.5]decane has a molecular weight of 215.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[(3S)-3-fluorobutyl]-2-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 129348866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).