(3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane

C21H24FNO2 — CID 97488457

IUPAC(3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(CN2CCC3(CC2)C[C@@H](Oc2ccccc2)CO3)cc1
InChIInChI=1S/C21H24FNO2/c22-18-8-6-17(7-9-18)15-23-12-10-21(11-13-23)14-20(16-24-21)25-19-4-2-1-3-5-19/h1-9,20H,10-16H2/t20-/m1/s1
InChIKeyNGPURGYCPNXKFF-HXUWFJFHSA-N
MW341.43 g/mol
LogP4.03
Rot. Bonds4

About (3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane

(3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97488457) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is (3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID97488457
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name(3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(CN2CCC3(CC2)C[C@@H](Oc2ccccc2)CO3)cc1
InChIInChI=1S/C21H24FNO2/c22-18-8-6-17(7-9-18)15-23-12-10-21(11-13-23)14-20(16-24-21)25-19-4-2-1-3-5-19/h1-9,20H,10-16H2/t20-/m1/s1
InChIKeyNGPURGYCPNXKFF-HXUWFJFHSA-N
XLogP4.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97450673
(3S,5R)-9-[(4-fluorophenyl)methyl]-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 124519890
(3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
CID 97488488
3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134071068
[(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 124948323
[(3R)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 124948324
8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 131652795
(3R)-8-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371282
(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419260
8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155856222
(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane
CID 124938709
(3S,5S)-3-phenoxy-7-(thiadiazol-4-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 97394368

Frequently Asked Questions

What is the IUPAC name of (3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane (CID 97488457) is (3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane is Fc1ccc(CN2CCC3(CC2)C[C@@H](Oc2ccccc2)CO3)cc1.
What is the InChIKey of (3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is NGPURGYCPNXKFF-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24FNO2/c22-18-8-6-17(7-9-18)15-23-12-10-21(11-13-23)14-20(16-24-21)25-19-4-2-1-3-5-19/h1-9,20H,10-16H2/t20-/m1/s1.
What are the key properties of (3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane?
(3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 341.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97488457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).