(3-hydroxy-3-methylcyclobutyl)-[6-[4-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]methanone

C20H24F3NO2 — CID 164709972

IUPAC(3-hydroxy-3-methylcyclobutyl)-[6-[4-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCc1ccc(C2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cc1C(F)(F)F
InChIInChI=1S/C20H24F3NO2/c1-12-3-4-13(5-16(12)20(21,22)23)14-8-19(9-14)10-24(11-19)17(25)15-6-18(2,26)7-15/h3-5,14-15,26H,6-11H2,1-2H3
InChIKeyCBCLJIWMMBEQBS-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.88
Rot. Bonds2

About (3-hydroxy-3-methylcyclobutyl)-[6-[4-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[6-[4-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 164709972) has the molecular formula C20H24F3NO2 and a molecular weight of 367.41 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[6-[4-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[6-[4-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID164709972
Molecular FormulaC20H24F3NO2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[6-[4-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCc1ccc(C2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cc1C(F)(F)F
InChIInChI=1S/C20H24F3NO2/c1-12-3-4-13(5-16(12)20(21,22)23)14-8-19(9-14)10-24(11-19)17(25)15-6-18(2,26)7-15/h3-5,14-15,26H,6-11H2,1-2H3
InChIKeyCBCLJIWMMBEQBS-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[4-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[4-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 164709972) is (3-hydroxy-3-methylcyclobutyl)-[6-[4-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[6-[4-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[6-[4-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]methanone is Cc1ccc(C2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cc1C(F)(F)F.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[6-[4-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is CBCLJIWMMBEQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO2/c1-12-3-4-13(5-16(12)20(21,22)23)14-8-19(9-14)10-24(11-19)17(25)15-6-18(2,26)7-15/h3-5,14-15,26H,6-11H2,1-2H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[6-[4-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[6-[4-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 367.41 g/mol, XLogP of 3.88, 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-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 164709972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).