6'-(trifluoromethoxy)spiro[1H-indole-3,3'-2H-1-benzofuran]-2-one

C16H10F3NO3 — CID 11998469

IUPAC6'-(trifluoromethoxy)spiro[1H-indole-3,3'-2H-1-benzofuran]-2-one
SMILESO=C1Nc2ccccc2C12COc1cc(OC(F)(F)F)ccc12
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)23-9-5-6-11-13(7-9)22-8-15(11)10-3-1-2-4-12(10)20-14(15)21/h1-7H,8H2,(H,20,21)
InChIKeyCKRGXEMTPKIAEL-UHFFFAOYSA-N
MW321.25 g/mol
LogP3.22
Rot. Bonds1

About 6'-(trifluoromethoxy)spiro[1H-indole-3,3'-2H-1-benzofuran]-2-one

6'-(trifluoromethoxy)spiro[1H-indole-3,3'-2H-1-benzofuran]-2-one (PubChem CID 11998469) has the molecular formula C16H10F3NO3 and a molecular weight of 321.25 g/mol. Its IUPAC name is 6'-(trifluoromethoxy)spiro[1H-indole-3,3'-2H-1-benzofuran]-2-one.

Molecular Properties

Compound Name6'-(trifluoromethoxy)spiro[1H-indole-3,3'-2H-1-benzofuran]-2-one
PubChem CID11998469
Molecular FormulaC16H10F3NO3
Molecular Weight321.25 g/mol
Exact Mass321.06
IUPAC Name6'-(trifluoromethoxy)spiro[1H-indole-3,3'-2H-1-benzofuran]-2-one
SMILESO=C1Nc2ccccc2C12COc1cc(OC(F)(F)F)ccc12
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)23-9-5-6-11-13(7-9)22-8-15(11)10-3-1-2-4-12(10)20-14(15)21/h1-7H,8H2,(H,20,21)
InChIKeyCKRGXEMTPKIAEL-UHFFFAOYSA-N
XLogP3.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3E)-3-[(2,4-dipropoxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 2487662
(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-fluoro-1H-indol-2-one
CID 90643708
5,6-difluoro-1'-pentylspiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 11998468
6-methoxy-1'-pentylspiro[1-benzofuran-3,3'-indol]-2'(1H)-one
CID 59263528
6-methoxy-1'-(tetrahydro-2H-pyran-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352665
6-methoxy-1'-[(2R)-tetrahydrofuran-2-ylmethyl]spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352762
3-(5-tert-butyl-2-prop-2-ynoxyphenyl)-3-phenyl-1H-indol-2-one
CID 73351039
3,3-bis[5-tert-butyl-2-(2-methoxyethoxy)phenyl]-1H-indol-2-one
CID 121291503
3-(2,4-Dimethoxyphenyl)-1-methyl-3-phenylindol-2-one
CID 101572049
3-(2,4-Dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one
CID 139255181
4,6-Dimethoxy-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one
CID 101896608
(2'R,3R)-2'-(4-fluorophenyl)-4,6-dimethoxy-1-methylspiro[indole-3,4'-oxane]-2-one
CID 139044527

Frequently Asked Questions

What is the IUPAC name of 6'-(trifluoromethoxy)spiro[1H-indole-3,3'-2H-1-benzofuran]-2-one?
The IUPAC name of 6'-(trifluoromethoxy)spiro[1H-indole-3,3'-2H-1-benzofuran]-2-one (CID 11998469) is 6'-(trifluoromethoxy)spiro[1H-indole-3,3'-2H-1-benzofuran]-2-one.
What is the SMILES notation for 6'-(trifluoromethoxy)spiro[1H-indole-3,3'-2H-1-benzofuran]-2-one?
The canonical SMILES for 6'-(trifluoromethoxy)spiro[1H-indole-3,3'-2H-1-benzofuran]-2-one is O=C1Nc2ccccc2C12COc1cc(OC(F)(F)F)ccc12.
What is the InChIKey of 6'-(trifluoromethoxy)spiro[1H-indole-3,3'-2H-1-benzofuran]-2-one?
The InChIKey is CKRGXEMTPKIAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO3/c17-16(18,19)23-9-5-6-11-13(7-9)22-8-15(11)10-3-1-2-4-12(10)20-14(15)21/h1-7H,8H2,(H,20,21).
What are the key properties of 6'-(trifluoromethoxy)spiro[1H-indole-3,3'-2H-1-benzofuran]-2-one?
6'-(trifluoromethoxy)spiro[1H-indole-3,3'-2H-1-benzofuran]-2-one has a molecular weight of 321.25 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-(trifluoromethoxy)spiro[1H-indole-3,3'-2H-1-benzofuran]-2-one is sourced from PubChem (CID 11998469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).