6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one

C13H12F3NO2 — CID 125421520

IUPAC6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2C12CCOCC2
InChIInChI=1S/C13H12F3NO2/c14-13(15,16)8-1-2-9-10(7-8)17-11(18)12(9)3-5-19-6-4-12/h1-2,7H,3-6H2,(H,17,18)
InChIKeyYBHXNPHOONIJQJ-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.71
Rot. Bonds

About 6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one

6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one (PubChem CID 125421520) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one.

Molecular Properties

Compound Name6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one
PubChem CID125421520
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2C12CCOCC2
InChIInChI=1S/C13H12F3NO2/c14-13(15,16)8-1-2-9-10(7-8)17-11(18)12(9)3-5-19-6-4-12/h1-2,7H,3-6H2,(H,17,18)
InChIKeyYBHXNPHOONIJQJ-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one?
The IUPAC name of 6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one (CID 125421520) is 6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one.
What is the SMILES notation for 6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one?
The canonical SMILES for 6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one is O=C1Nc2cc(C(F)(F)F)ccc2C12CCOCC2.
What is the InChIKey of 6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one?
The InChIKey is YBHXNPHOONIJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c14-13(15,16)8-1-2-9-10(7-8)17-11(18)12(9)3-5-19-6-4-12/h1-2,7H,3-6H2,(H,17,18).
What are the key properties of 6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one?
6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one has a molecular weight of 271.24 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one is sourced from PubChem (CID 125421520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).