6-oxaspiro[4.5]decan-9-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C15H22F3NO2 — CID 116572801

IUPAC6-oxaspiro[4.5]decan-9-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1CCOC2(CCCC2)C1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C15H22F3NO2/c16-15(17,18)14(6-7-19-10-14)12(20)11-3-8-21-13(9-11)4-1-2-5-13/h11,19H,1-10H2
InChIKeyBXOLHICXKBAPIL-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.84
Rot. Bonds2

About 6-oxaspiro[4.5]decan-9-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

6-oxaspiro[4.5]decan-9-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 116572801) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-oxaspiro[4.5]decan-9-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name6-oxaspiro[4.5]decan-9-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID116572801
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name6-oxaspiro[4.5]decan-9-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1CCOC2(CCCC2)C1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C15H22F3NO2/c16-15(17,18)14(6-7-19-10-14)12(20)11-3-8-21-13(9-11)4-1-2-5-13/h11,19H,1-10H2
InChIKeyBXOLHICXKBAPIL-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[4.5]decan-9-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of 6-oxaspiro[4.5]decan-9-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 116572801) is 6-oxaspiro[4.5]decan-9-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for 6-oxaspiro[4.5]decan-9-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for 6-oxaspiro[4.5]decan-9-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(C1CCOC2(CCCC2)C1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 6-oxaspiro[4.5]decan-9-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is BXOLHICXKBAPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c16-15(17,18)14(6-7-19-10-14)12(20)11-3-8-21-13(9-11)4-1-2-5-13/h11,19H,1-10H2.
What are the key properties of 6-oxaspiro[4.5]decan-9-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
6-oxaspiro[4.5]decan-9-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 305.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[4.5]decan-9-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 116572801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).