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

C17H20F3NO3 — CID 110203454

IUPAC(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)CC(O)CCO2
InChIInChI=1S/C17H20F3NO3/c18-17(19,20)13-3-1-12(2-4-13)15(23)21-8-6-16(7-9-21)11-14(22)5-10-24-16/h1-4,14,22H,5-11H2
InChIKeyADLFNBBPBNOQMS-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.85
Rot. Bonds1

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

(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 110203454) 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)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID110203454
Molecular FormulaC17H20F3NO3
Molecular Weight343.34 g/mol
Exact Mass343.14
IUPAC Name(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)CC(O)CCO2
InChIInChI=1S/C17H20F3NO3/c18-17(19,20)13-3-1-12(2-4-13)15(23)21-8-6-16(7-9-21)11-14(22)5-10-24-16/h1-4,14,22H,5-11H2
InChIKeyADLFNBBPBNOQMS-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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Related Compounds

(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 131702366
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110131063
(4,4-dimethoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84582397
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 106671798
4-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]benzonitrile
CID 133139578
morpholin-4-yl-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 32651661
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 125021815
(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918170
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 103727414
1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile
CID 39381919

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 110203454) is (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)CC(O)CCO2.
What is the InChIKey of (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is ADLFNBBPBNOQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO3/c18-17(19,20)13-3-1-12(2-4-13)15(23)21-8-6-16(7-9-21)11-14(22)5-10-24-16/h1-4,14,22H,5-11H2.
What are the key properties of (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(trifluoromethyl)phenyl]methanone?
(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(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)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 110203454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).