(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one

C24H33F3N2O2 — CID 155754407

IUPAC(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one
SMILESC[C@H](CC(F)(F)F)C(=O)N1CCC(O)(CN2CCC2c2ccccc2)C2(CCCC2)C1
InChIInChI=1S/C24H33F3N2O2/c1-18(15-24(25,26)27)21(30)29-14-12-23(31,22(16-29)10-5-6-11-22)17-28-13-9-20(28)19-7-3-2-4-8-19/h2-4,7-8,18,20,31H,5-6,9-17H2,1H3/t18-,20?,23?/m1/s1
InChIKeyGEHYLLOSPPICRU-TWEIKEKHSA-N
MW438.53 g/mol
LogP4.55
Rot. Bonds5

About (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one

(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one (PubChem CID 155754407) has the molecular formula C24H33F3N2O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one
PubChem CID155754407
Molecular FormulaC24H33F3N2O2
Molecular Weight438.53 g/mol
Exact Mass438.25
IUPAC Name(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one
SMILESC[C@H](CC(F)(F)F)C(=O)N1CCC(O)(CN2CCC2c2ccccc2)C2(CCCC2)C1
InChIInChI=1S/C24H33F3N2O2/c1-18(15-24(25,26)27)21(30)29-14-12-23(31,22(16-29)10-5-6-11-22)17-28-13-9-20(28)19-7-3-2-4-8-19/h2-4,7-8,18,20,31H,5-6,9-17H2,1H3/t18-,20?,23?/m1/s1
InChIKeyGEHYLLOSPPICRU-TWEIKEKHSA-N
XLogP4.55
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139347160
1-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one
CID 139347106
1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one
CID 139347103
1-[[(10R)-10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-5-(4-methylpiperazine-1-carbonyl)-4-phenylpyridin-2-one
CID 139346885
4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one
CID 139370296
2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-7-methoxyisoquinolin-1-one
CID 139370369
(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one
CID 167819278
(4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one
CID 164811211
6-phenyl-3-[[7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
CID 165142087
4-[10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-3-phenylpiperazine-1-carboxylic acid
CID 139370569
1-[[10-hydroxy-7-[(2R)-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218906
3-[[7-[(2S,4S)-4-amino-2-phenylpiperidine-1-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146627595

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one?
The IUPAC name of (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one (CID 155754407) is (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one.
What is the SMILES notation for (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one?
The canonical SMILES for (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one is C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(CN2CCC2c2ccccc2)C2(CCCC2)C1.
What is the InChIKey of (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one?
The InChIKey is GEHYLLOSPPICRU-TWEIKEKHSA-N. The full InChI is InChI=1S/C24H33F3N2O2/c1-18(15-24(25,26)27)21(30)29-14-12-23(31,22(16-29)10-5-6-11-22)17-28-13-9-20(28)19-7-3-2-4-8-19/h2-4,7-8,18,20,31H,5-6,9-17H2,1H3/t18-,20?,23?/m1/s1.
What are the key properties of (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one?
(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one has a molecular weight of 438.53 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one is sourced from PubChem (CID 155754407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).