(3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

C20H24F3NO2 — CID 164709989

IUPAC(3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCC1(O)CC(C(=O)N2CC3(CC(Cc4ccccc4C(F)(F)F)C3)C2)C1
InChIInChI=1S/C20H24F3NO2/c1-18(26)9-15(10-18)17(25)24-11-19(12-24)7-13(8-19)6-14-4-2-3-5-16(14)20(21,22)23/h2-5,13,15,26H,6-12H2,1H3
InChIKeyLWHFYRLZFJSPQN-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.65
Rot. Bonds3

About (3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 164709989) has the molecular formula C20H24F3NO2 and a molecular weight of 367.41 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID164709989
Molecular FormulaC20H24F3NO2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCC1(O)CC(C(=O)N2CC3(CC(Cc4ccccc4C(F)(F)F)C3)C2)C1
InChIInChI=1S/C20H24F3NO2/c1-18(26)9-15(10-18)17(25)24-11-19(12-24)7-13(8-19)6-14-4-2-3-5-16(14)20(21,22)23/h2-5,13,15,26H,6-12H2,1H3
InChIKeyLWHFYRLZFJSPQN-UHFFFAOYSA-N
XLogP3.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxy-3-methylcyclobutyl)-[6-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 164710204
[6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710080
(3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
CID 170373413
(3-hydroxy-3-methylcyclobutyl)-[6-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 164709976
(3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710438
(3-hydroxy-3-methylcyclobutyl)-[6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710119
[7-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710149
methyl 2-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 117270179
(3-hydroxy-3-methylcyclobutyl)-[6-[(4-propan-2-ylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710264
(3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone
CID 164710268
(3-hydroxy-3-methylcyclobutyl)-[7-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]methanone
CID 164710339
(2R)-1-[6-[(2-ethylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(hydroxymethyl)butan-1-one
CID 170372423

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 164709989) is (3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is CC1(O)CC(C(=O)N2CC3(CC(Cc4ccccc4C(F)(F)F)C3)C2)C1.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is LWHFYRLZFJSPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO2/c1-18(26)9-15(10-18)17(25)24-11-19(12-24)7-13(8-19)6-14-4-2-3-5-16(14)20(21,22)23/h2-5,13,15,26H,6-12H2,1H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 367.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylcyclobutyl)-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 164709989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).