(4S,5S)-9-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane

C17H24FNO2 — CID 97375098

IUPAC(4S,5S)-9-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCOC[C@@H]1CCC[C@@]12CN(Cc1ccc(F)cc1)CCO2
InChIInChI=1S/C17H24FNO2/c1-20-12-15-3-2-8-17(15)13-19(9-10-21-17)11-14-4-6-16(18)7-5-14/h4-7,15H,2-3,8-13H2,1H3/t15-,17+/m0/s1
InChIKeyROJMGNSNUNGJSZ-DOTOQJQBSA-N
MW293.38 g/mol
LogP2.84
Rot. Bonds4

About (4S,5S)-9-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane

(4S,5S)-9-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 97375098) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is (4S,5S)-9-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4S,5S)-9-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID97375098
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name(4S,5S)-9-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCOC[C@@H]1CCC[C@@]12CN(Cc1ccc(F)cc1)CCO2
InChIInChI=1S/C17H24FNO2/c1-20-12-15-3-2-8-17(15)13-19(9-10-21-17)11-14-4-6-16(18)7-5-14/h4-7,15H,2-3,8-13H2,1H3/t15-,17+/m0/s1
InChIKeyROJMGNSNUNGJSZ-DOTOQJQBSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-9-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (4S,5S)-9-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane (CID 97375098) is (4S,5S)-9-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (4S,5S)-9-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (4S,5S)-9-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane is COC[C@@H]1CCC[C@@]12CN(Cc1ccc(F)cc1)CCO2.
What is the InChIKey of (4S,5S)-9-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is ROJMGNSNUNGJSZ-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-20-12-15-3-2-8-17(15)13-19(9-10-21-17)11-14-4-6-16(18)7-5-14/h4-7,15H,2-3,8-13H2,1H3/t15-,17+/m0/s1.
What are the key properties of (4S,5S)-9-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane?
(4S,5S)-9-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 293.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-9-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97375098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).