(5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane

C16H22FNO2 — CID 110156017

IUPAC(5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@H]1CN(Cc2ccc(F)cc2)CC[C@@]12CCCO2
InChIInChI=1S/C16H22FNO2/c1-19-15-12-18(9-8-16(15)7-2-10-20-16)11-13-3-5-14(17)6-4-13/h3-6,15H,2,7-12H2,1H3/t15-,16-/m0/s1
InChIKeyPEGFQRBLKWIQBF-HOTGVXAUSA-N
MW279.35 g/mol
LogP2.60
Rot. Bonds3

About (5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane

(5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 110156017) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is (5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID110156017
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name(5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@H]1CN(Cc2ccc(F)cc2)CC[C@@]12CCCO2
InChIInChI=1S/C16H22FNO2/c1-19-15-12-18(9-8-16(15)7-2-10-20-16)11-13-3-5-14(17)6-4-13/h3-6,15H,2,7-12H2,1H3/t15-,16-/m0/s1
InChIKeyPEGFQRBLKWIQBF-HOTGVXAUSA-N
XLogP2.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane (CID 110156017) is (5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane is CO[C@H]1CN(Cc2ccc(F)cc2)CC[C@@]12CCCO2.
What is the InChIKey of (5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is PEGFQRBLKWIQBF-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-19-15-12-18(9-8-16(15)7-2-10-20-16)11-13-3-5-14(17)6-4-13/h3-6,15H,2,7-12H2,1H3/t15-,16-/m0/s1.
What are the key properties of (5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane?
(5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 279.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 110156017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).