5-oxaspiro[3.5]nonan-8-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C14H20F3NO2 — CID 116572758

IUPAC5-oxaspiro[3.5]nonan-8-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1CCOC2(CCC2)C1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H20F3NO2/c15-14(16,17)13(5-6-18-9-13)11(19)10-2-7-20-12(8-10)3-1-4-12/h10,18H,1-9H2
InChIKeyRBSHIBOZEOZYSQ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.45
Rot. Bonds2

About 5-oxaspiro[3.5]nonan-8-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

5-oxaspiro[3.5]nonan-8-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 116572758) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-oxaspiro[3.5]nonan-8-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name5-oxaspiro[3.5]nonan-8-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID116572758
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name5-oxaspiro[3.5]nonan-8-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1CCOC2(CCC2)C1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H20F3NO2/c15-14(16,17)13(5-6-18-9-13)11(19)10-2-7-20-12(8-10)3-1-4-12/h10,18H,1-9H2
InChIKeyRBSHIBOZEOZYSQ-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[3.5]nonan-8-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of 5-oxaspiro[3.5]nonan-8-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 116572758) is 5-oxaspiro[3.5]nonan-8-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for 5-oxaspiro[3.5]nonan-8-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for 5-oxaspiro[3.5]nonan-8-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(C1CCOC2(CCC2)C1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 5-oxaspiro[3.5]nonan-8-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is RBSHIBOZEOZYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c15-14(16,17)13(5-6-18-9-13)11(19)10-2-7-20-12(8-10)3-1-4-12/h10,18H,1-9H2.
What are the key properties of 5-oxaspiro[3.5]nonan-8-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
5-oxaspiro[3.5]nonan-8-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 291.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.5]nonan-8-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 116572758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).