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

C11H20FNO2 — CID 126784432

IUPAC6-(3-fluorobutyl)-2,9-dioxa-6-azaspiro[4.5]decane
SMILESCC(F)CCN1CCOCC12CCOC2
InChIInChI=1S/C11H20FNO2/c1-10(12)2-4-13-5-7-15-9-11(13)3-6-14-8-11/h10H,2-9H2,1H3
InChIKeyRCXOWWNNPJEQQN-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.23
Rot. Bonds3

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

6-(3-fluorobutyl)-2,9-dioxa-6-azaspiro[4.5]decane (PubChem CID 126784432) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 6-(3-fluorobutyl)-2,9-dioxa-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name6-(3-fluorobutyl)-2,9-dioxa-6-azaspiro[4.5]decane
PubChem CID126784432
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name6-(3-fluorobutyl)-2,9-dioxa-6-azaspiro[4.5]decane
SMILESCC(F)CCN1CCOCC12CCOC2
InChIInChI=1S/C11H20FNO2/c1-10(12)2-4-13-5-7-15-9-11(13)3-6-14-8-11/h10H,2-9H2,1H3
InChIKeyRCXOWWNNPJEQQN-UHFFFAOYSA-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

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Related Compounds

(5S)-6-[(3R)-3-fluorobutyl]-2,9-dioxa-6-azaspiro[4.5]decane
CID 129349121
(5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane
CID 129430000
(2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one
CID 99841406
2-[(3R)-3-fluorobutyl]-9-oxa-2-azaspiro[5.5]undecane
CID 129348510
(5S)-6-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2,9-dioxa-6-azaspiro[4.5]decane
CID 164636694
1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-2-ol
CID 130627672
(5R)-6-[2-[(2S)-oxan-2-yl]oxyethyl]-2,9-dioxa-6-azaspiro[4.5]decane
CID 124830345
(5R)-1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
CID 177187241
(5R)-6-propan-2-yl-2-oxa-6-azaspiro[4.5]decane
CID 170024825
6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane
CID 122139863
3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal
CID 130727536
ethane;6-ethyl-2-oxa-6-azaspiro[4.5]decane
CID 153356983

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorobutyl)-2,9-dioxa-6-azaspiro[4.5]decane?
The IUPAC name of 6-(3-fluorobutyl)-2,9-dioxa-6-azaspiro[4.5]decane (CID 126784432) is 6-(3-fluorobutyl)-2,9-dioxa-6-azaspiro[4.5]decane.
What is the SMILES notation for 6-(3-fluorobutyl)-2,9-dioxa-6-azaspiro[4.5]decane?
The canonical SMILES for 6-(3-fluorobutyl)-2,9-dioxa-6-azaspiro[4.5]decane is CC(F)CCN1CCOCC12CCOC2.
What is the InChIKey of 6-(3-fluorobutyl)-2,9-dioxa-6-azaspiro[4.5]decane?
The InChIKey is RCXOWWNNPJEQQN-UHFFFAOYSA-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.
What are the key properties of 6-(3-fluorobutyl)-2,9-dioxa-6-azaspiro[4.5]decane?
6-(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 6-(3-fluorobutyl)-2,9-dioxa-6-azaspiro[4.5]decane is sourced from PubChem (CID 126784432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).