(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(trifluoromethyl)phenyl]methanone

C17H20F3NO3 — CID 110203448

IUPAC(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCC2(CC1)CC(O)CCO2
InChIInChI=1S/C17H20F3NO3/c18-17(19,20)13-3-1-2-12(10-13)15(23)21-7-5-16(6-8-21)11-14(22)4-9-24-16/h1-3,10,14,22H,4-9,11H2
InChIKeyFTPJPJCROOFBFZ-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.85
Rot. Bonds1

About (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(trifluoromethyl)phenyl]methanone

(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 110203448) has the molecular formula C17H20F3NO3 and a molecular weight of 343.34 g/mol. Its IUPAC name is (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID110203448
Molecular FormulaC17H20F3NO3
Molecular Weight343.34 g/mol
Exact Mass343.14
IUPAC Name(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCC2(CC1)CC(O)CCO2
InChIInChI=1S/C17H20F3NO3/c18-17(19,20)13-3-1-2-12(10-13)15(23)21-7-5-16(6-8-21)11-14(22)4-9-24-16/h1-3,10,14,22H,4-9,11H2
InChIKeyFTPJPJCROOFBFZ-UHFFFAOYSA-N
XLogP2.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 110203448) is (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCC2(CC1)CC(O)CCO2.
What is the InChIKey of (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is FTPJPJCROOFBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO3/c18-17(19,20)13-3-1-2-12(10-13)15(23)21-7-5-16(6-8-21)11-14(22)4-9-24-16/h1-3,10,14,22H,4-9,11H2.
What are the key properties of (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(trifluoromethyl)phenyl]methanone?
(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 343.34 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 110203448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).