(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane

C14H18FNO2 — CID 124938709

IUPAC(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(O[C@@H]2COC3(CCNCC3)C2)cc1
InChIInChI=1S/C14H18FNO2/c15-11-1-3-12(4-2-11)18-13-9-14(17-10-13)5-7-16-8-6-14/h1-4,13,16H,5-10H2/t13-/m0/s1
InChIKeyFITYVVOVQWFILR-ZDUSSCGKSA-N
MW251.30 g/mol
LogP2.12
Rot. Bonds2

About (3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane

(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 124938709) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID124938709
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(O[C@@H]2COC3(CCNCC3)C2)cc1
InChIInChI=1S/C14H18FNO2/c15-11-1-3-12(4-2-11)18-13-9-14(17-10-13)5-7-16-8-6-14/h1-4,13,16H,5-10H2/t13-/m0/s1
InChIKeyFITYVVOVQWFILR-ZDUSSCGKSA-N
XLogP2.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile
CID 107281588
3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile
CID 102930597
(3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
CID 97488457
(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97486909
3-[(6-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930458
3-[(4-methoxyphenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930200
3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930637
6-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-3-carbonitrile
CID 102930474
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930602
3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930543
6-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-2-carboxamide
CID 102930635
3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930076

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane (CID 124938709) is (3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane is Fc1ccc(O[C@@H]2COC3(CCNCC3)C2)cc1.
What is the InChIKey of (3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is FITYVVOVQWFILR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-11-1-3-12(4-2-11)18-13-9-14(17-10-13)5-7-16-8-6-14/h1-4,13,16H,5-10H2/t13-/m0/s1.
What are the key properties of (3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane?
(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 251.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 124938709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).