[(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone

C14H20F3NO2 — CID 100747041

IUPAC[(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
SMILESO=C([C@H]1CCOC1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C14H20F3NO2/c15-14(16,17)11-2-6-18(9-13(11)4-1-5-13)12(19)10-3-7-20-8-10/h10-11H,1-9H2/t10-,11+/m0/s1
InChIKeyNMQROWKLQRZEOS-WDEREUQCSA-N
MW291.31 g/mol
LogP2.60
Rot. Bonds1

About [(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone

[(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone (PubChem CID 100747041) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
PubChem CID100747041
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name[(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
SMILESO=C([C@H]1CCOC1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C14H20F3NO2/c15-14(16,17)11-2-6-18(9-13(11)4-1-5-13)12(19)10-3-7-20-8-10/h10-11H,1-9H2/t10-,11+/m0/s1
InChIKeyNMQROWKLQRZEOS-WDEREUQCSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
The IUPAC name of [(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone (CID 100747041) is [(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone.
What is the SMILES notation for [(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
The canonical SMILES for [(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone is O=C([C@H]1CCOC1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1.
What is the InChIKey of [(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
The InChIKey is NMQROWKLQRZEOS-WDEREUQCSA-N. The full InChI is InChI=1S/C14H20F3NO2/c15-14(16,17)11-2-6-18(9-13(11)4-1-5-13)12(19)10-3-7-20-8-10/h10-11H,1-9H2/t10-,11+/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
[(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone has a molecular weight of 291.31 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone is sourced from PubChem (CID 100747041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).