6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone

C16H24F3NO2 — CID 97232340

IUPAC6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCOC2(CCCC2)C1
InChIInChI=1S/C16H24F3NO2/c17-16(18,19)13-5-3-4-12(10-13)14(21)20-8-9-22-15(11-20)6-1-2-7-15/h12-13H,1-11H2/t12-,13+/m0/s1
InChIKeyKHHOCRAGKYZEEW-QWHCGFSZSA-N
MW319.37 g/mol
LogP3.53
Rot. Bonds1

About 6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone

6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 97232340) has the molecular formula C16H24F3NO2 and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID97232340
Molecular FormulaC16H24F3NO2
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC Name6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCOC2(CCCC2)C1
InChIInChI=1S/C16H24F3NO2/c17-16(18,19)13-5-3-4-12(10-13)14(21)20-8-9-22-15(11-20)6-1-2-7-15/h12-13H,1-11H2/t12-,13+/m0/s1
InChIKeyKHHOCRAGKYZEEW-QWHCGFSZSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of 6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone (CID 97232340) is 6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for 6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for 6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone is O=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCOC2(CCCC2)C1.
What is the InChIKey of 6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is KHHOCRAGKYZEEW-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H24F3NO2/c17-16(18,19)13-5-3-4-12(10-13)14(21)20-8-9-22-15(11-20)6-1-2-7-15/h12-13H,1-11H2/t12-,13+/m0/s1.
What are the key properties of 6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 319.37 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 97232340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).