(3-hydroxy-3-methylcyclobutyl)-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone

C20H24F3NO2 — CID 164709967

IUPAC(3-hydroxy-3-methylcyclobutyl)-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCC1(O)CC(C(=O)N2CC3(CCC(c4ccc(C(F)(F)F)cc4)C3)C2)C1
InChIInChI=1S/C20H24F3NO2/c1-18(26)8-15(9-18)17(25)24-11-19(12-24)7-6-14(10-19)13-2-4-16(5-3-13)20(21,22)23/h2-5,14-15,26H,6-12H2,1H3
InChIKeyMWRNOUFTERHWGT-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.96
Rot. Bonds2

About (3-hydroxy-3-methylcyclobutyl)-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 164709967) has the molecular formula C20H24F3NO2 and a molecular weight of 367.41 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID164709967
Molecular FormulaC20H24F3NO2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCC1(O)CC(C(=O)N2CC3(CCC(c4ccc(C(F)(F)F)cc4)C3)C2)C1
InChIInChI=1S/C20H24F3NO2/c1-18(26)8-15(9-18)17(25)24-11-19(12-24)7-6-14(10-19)13-2-4-16(5-3-13)20(21,22)23/h2-5,14-15,26H,6-12H2,1H3
InChIKeyMWRNOUFTERHWGT-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-hydroxy-3-methylcyclobutyl)-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone 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

US11802111, Example 210
CID 164710414
US11802111, Example 212
CID 164710556
US11802111, Example 230
CID 164709970
US11802111, Example 6
CID 164709972
US11802111, Example 189
CID 164709982
US11802111, Example 199
CID 164709989
US11802111, Example 155
CID 164710000
US11802111, Example 353
CID 164710004
US11802111, Example 108
CID 164710028
US11802111, Example 163
CID 164710034
US11802111, Example 162
CID 164710041
US11802111, Example 7
CID 164710055

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone (CID 164709967) is (3-hydroxy-3-methylcyclobutyl)-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone is CC1(O)CC(C(=O)N2CC3(CCC(c4ccc(C(F)(F)F)cc4)C3)C2)C1.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is MWRNOUFTERHWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO2/c1-18(26)8-15(9-18)17(25)24-11-19(12-24)7-6-14(10-19)13-2-4-16(5-3-13)20(21,22)23/h2-5,14-15,26H,6-12H2,1H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 367.41 g/mol, XLogP of 3.96, 2 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-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 164709967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).