7'-(difluoromethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one

C19H17F2NO3 — CID 56967589

IUPAC7'-(difluoromethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one
SMILESCC1(C)CC2(C(=O)Nc3ccccc32)c2ccc(OC(F)F)cc2O1
InChIInChI=1S/C19H17F2NO3/c1-18(2)10-19(12-5-3-4-6-14(12)22-16(19)23)13-8-7-11(24-17(20)21)9-15(13)25-18/h3-9,17H,10H2,1-2H3,(H,22,23)
InChIKeyMYHRJCFDFCXOID-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.09
Rot. Bonds2

About 7'-(difluoromethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one

7'-(difluoromethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one (PubChem CID 56967589) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is 7'-(difluoromethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one.

Molecular Properties

Compound Name7'-(difluoromethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one
PubChem CID56967589
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name7'-(difluoromethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one
SMILESCC1(C)CC2(C(=O)Nc3ccccc32)c2ccc(OC(F)F)cc2O1
InChIInChI=1S/C19H17F2NO3/c1-18(2)10-19(12-5-3-4-6-14(12)22-16(19)23)13-8-7-11(24-17(20)21)9-15(13)25-18/h3-9,17H,10H2,1-2H3,(H,22,23)
InChIKeyMYHRJCFDFCXOID-UHFFFAOYSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7'-(difluoromethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one?
The IUPAC name of 7'-(difluoromethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one (CID 56967589) is 7'-(difluoromethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one.
What is the SMILES notation for 7'-(difluoromethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one?
The canonical SMILES for 7'-(difluoromethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one is CC1(C)CC2(C(=O)Nc3ccccc32)c2ccc(OC(F)F)cc2O1.
What is the InChIKey of 7'-(difluoromethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one?
The InChIKey is MYHRJCFDFCXOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3/c1-18(2)10-19(12-5-3-4-6-14(12)22-16(19)23)13-8-7-11(24-17(20)21)9-15(13)25-18/h3-9,17H,10H2,1-2H3,(H,22,23).
What are the key properties of 7'-(difluoromethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one?
7'-(difluoromethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one has a molecular weight of 345.35 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(difluoromethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one is sourced from PubChem (CID 56967589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).