(3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

C17H24FNO2 — CID 97450673

IUPAC(3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCCO[C@@H]1COC2(CCN(Cc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H24FNO2/c1-2-20-16-11-17(21-13-16)7-9-19(10-8-17)12-14-3-5-15(18)6-4-14/h3-6,16H,2,7-13H2,1H3/t16-/m0/s1
InChIKeyOEACUCNNOQVEQP-INIZCTEOSA-N
MW293.38 g/mol
LogP2.99
Rot. Bonds4

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

(3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97450673) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is (3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID97450673
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name(3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCCO[C@@H]1COC2(CCN(Cc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H24FNO2/c1-2-20-16-11-17(21-13-16)7-9-19(10-8-17)12-14-3-5-15(18)6-4-14/h3-6,16H,2,7-13H2,1H3/t16-/m0/s1
InChIKeyOEACUCNNOQVEQP-INIZCTEOSA-N
XLogP2.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
CID 97488457
(3S)-3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97450663
3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 131641032
(3S)-3-ethoxy-8-[(3-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97418798
(3R)-8-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371282
(3R)-3-ethoxy-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97450678
8-[(4-fluorophenyl)methyl]-N-[(1R,2R)-2-methylcyclopropyl]-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 166654998
(3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371444
2-[[8-[(4-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155824417
2-[[(3R,5R)-7-[(3-fluorophenyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]-N,N-dimethylacetamide
CID 97394293
(3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97418992
(3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97477123

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (CID 97450673) is (3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is CCO[C@@H]1COC2(CCN(Cc3ccc(F)cc3)CC2)C1.
What is the InChIKey of (3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is OEACUCNNOQVEQP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-2-20-16-11-17(21-13-16)7-9-19(10-8-17)12-14-3-5-15(18)6-4-14/h3-6,16H,2,7-13H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
(3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 293.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97450673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).