2-[[4-(trifluoromethyl)phenyl]methoxy]-2-azaspiro[4.4]nonane-1,3-dione

C16H16F3NO3 — CID 15657791

IUPAC2-[[4-(trifluoromethyl)phenyl]methoxy]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO3/c17-16(18,19)12-5-3-11(4-6-12)10-23-20-13(21)9-15(14(20)22)7-1-2-8-15/h3-6H,1-2,7-10H2
InChIKeyQOHNIHYKEOOGQF-UHFFFAOYSA-N
MW327.30 g/mol
LogP3.46
Rot. Bonds3

About 2-[[4-(trifluoromethyl)phenyl]methoxy]-2-azaspiro[4.4]nonane-1,3-dione

2-[[4-(trifluoromethyl)phenyl]methoxy]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 15657791) has the molecular formula C16H16F3NO3 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methoxy]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methoxy]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID15657791
Molecular FormulaC16H16F3NO3
Molecular Weight327.30 g/mol
Exact Mass327.11
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methoxy]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO3/c17-16(18,19)12-5-3-11(4-6-12)10-23-20-13(21)9-15(14(20)22)7-1-2-8-15/h3-6H,1-2,7-10H2
InChIKeyQOHNIHYKEOOGQF-UHFFFAOYSA-N
XLogP3.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
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 2-[[4-(trifluoromethyl)phenyl]methoxy]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methoxy]-2-azaspiro[4.4]nonane-1,3-dione (CID 15657791) is 2-[[4-(trifluoromethyl)phenyl]methoxy]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methoxy]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methoxy]-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methoxy]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is QOHNIHYKEOOGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3/c17-16(18,19)12-5-3-11(4-6-12)10-23-20-13(21)9-15(14(20)22)7-1-2-8-15/h3-6H,1-2,7-10H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methoxy]-2-azaspiro[4.4]nonane-1,3-dione?
2-[[4-(trifluoromethyl)phenyl]methoxy]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 327.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methoxy]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 15657791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).