(2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one

C20H26F3NO2 — CID 170372655

IUPAC(2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one
SMILESCC[C@H](CO)C(=O)N1CC2(CC[C@H](Cc3cccc(C(F)(F)F)c3)C2)C1
InChIInChI=1S/C20H26F3NO2/c1-2-16(11-25)18(26)24-12-19(13-24)7-6-15(10-19)8-14-4-3-5-17(9-14)20(21,22)23/h3-5,9,15-16,25H,2,6-8,10-13H2,1H3/t15-,16-/m1/s1
InChIKeyZUIVVORQGYKZRD-HZPDHXFCSA-N
MW369.43 g/mol
LogP3.90
Rot. Bonds5

About (2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one

(2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one (PubChem CID 170372655) has the molecular formula C20H26F3NO2 and a molecular weight of 369.43 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one
PubChem CID170372655
Molecular FormulaC20H26F3NO2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name(2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one
SMILESCC[C@H](CO)C(=O)N1CC2(CC[C@H](Cc3cccc(C(F)(F)F)c3)C2)C1
InChIInChI=1S/C20H26F3NO2/c1-2-16(11-25)18(26)24-12-19(13-24)7-6-15(10-19)8-14-4-3-5-17(9-14)20(21,22)23/h3-5,9,15-16,25H,2,6-8,10-13H2,1H3/t15-,16-/m1/s1
InChIKeyZUIVVORQGYKZRD-HZPDHXFCSA-N
XLogP3.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[6-[(3-cyclopropylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]-2-(hydroxymethyl)butan-1-one
CID 170372985
(2R)-1-[6-[(3-cyclopropylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(hydroxymethyl)butan-1-one
CID 170373269
(2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one
CID 170374482
(2R)-1-[6-[(3-cyclopropyl-2-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(hydroxymethyl)butan-1-one
CID 170372365
(3-hydroxy-3-methylcyclobutyl)-[6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710119
(2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one
CID 170371825
(3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710438
3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-ol
CID 65154101
2-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 66632722
1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene
CID 86203773
1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110539722
[7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710032

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one?
The IUPAC name of (2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one (CID 170372655) is (2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one?
The canonical SMILES for (2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one is CC[C@H](CO)C(=O)N1CC2(CC[C@H](Cc3cccc(C(F)(F)F)c3)C2)C1.
What is the InChIKey of (2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one?
The InChIKey is ZUIVVORQGYKZRD-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H26F3NO2/c1-2-16(11-25)18(26)24-12-19(13-24)7-6-15(10-19)8-14-4-3-5-17(9-14)20(21,22)23/h3-5,9,15-16,25H,2,6-8,10-13H2,1H3/t15-,16-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one?
(2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one has a molecular weight of 369.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-1-[(6R)-6-[[3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]butan-1-one is sourced from PubChem (CID 170372655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).