8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione

C14H20F3NO3 — CID 129400075

IUPAC8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCC1CCC2(CC1)CC(=O)N(C[C@@H](O)CC(F)(F)F)C2=O
InChIInChI=1S/C14H20F3NO3/c1-9-2-4-13(5-3-9)7-11(20)18(12(13)21)8-10(19)6-14(15,16)17/h9-10,19H,2-8H2,1H3/t9?,10-,13?/m0/s1
InChIKeyQNHDBVLTXROKFY-QUNCOHTASA-N
MW307.31 g/mol
LogP2.26
Rot. Bonds3

About 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione

8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 129400075) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID129400075
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCC1CCC2(CC1)CC(=O)N(C[C@@H](O)CC(F)(F)F)C2=O
InChIInChI=1S/C14H20F3NO3/c1-9-2-4-13(5-3-9)7-11(20)18(12(13)21)8-10(19)6-14(15,16)17/h9-10,19H,2-8H2,1H3/t9?,10-,13?/m0/s1
InChIKeyQNHDBVLTXROKFY-QUNCOHTASA-N
XLogP2.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione (CID 129400075) is 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione is CC1CCC2(CC1)CC(=O)N(C[C@@H](O)CC(F)(F)F)C2=O.
What is the InChIKey of 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is QNHDBVLTXROKFY-QUNCOHTASA-N. The full InChI is InChI=1S/C14H20F3NO3/c1-9-2-4-13(5-3-9)7-11(20)18(12(13)21)8-10(19)6-14(15,16)17/h9-10,19H,2-8H2,1H3/t9?,10-,13?/m0/s1.
What are the key properties of 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione?
8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 307.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 129400075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).